data_2pqe_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 2pqe _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 ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.282 . . . . 2.41 110.743 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.55 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.8 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.55 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.42 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 24' ' ' LYS . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 2.17 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 1.53 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.17 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 1.21 110.918 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.62 111.362 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.87 112.832 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 1.27 110.444 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.73 111.371 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 2.06 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 1.27 111.337 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.53 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 2.27 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 3.13 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.27 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 2.24 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 1.45 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 2.14 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.25 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE2' HG23 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 2.23 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 3.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 1.45 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.404 ' CD1' ' OD1' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.86 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.47 111.467 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 1.29 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.3 111.031 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.83 111.25 179.798 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 3.84 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 2.68 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.98 112.588 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.52 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.04 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.26 111.106 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.94 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 1.28 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 2.23 111.115 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 1.28 110.906 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.68 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.98 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.57 111.231 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 2.14 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 2.25 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 3.03 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.89 110.529 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.35 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.92 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' A' ' 34' ' ' PHE . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 1.33 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE1' ' CG ' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.61 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.5 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 2.37 110.936 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' CG ' ' CE1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.91 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.45 110.819 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.63 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 3.25 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.38 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.87 110.821 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.71 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.98 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.102 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 2.39 110.792 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.2 111.022 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 1.3 111.128 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.1 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 3.01 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.89 110.971 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 1.2 110.968 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.99 111.013 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.92 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.28 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 1.19 111.04 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 1.35 111.059 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 4.18 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 3.04 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.87 112.239 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 2.03 111.112 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 1.27 111.239 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.17 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 2.06 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.404 ' OD1' ' CD1' ' A' ' 37' ' ' LEU . 1.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.874 0.368 . . . . 3.31 111.048 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 3.18 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 2.09 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 2.23 111.356 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.68 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.58 110.777 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 2.07 110.819 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 4.22 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.87 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.83 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.8 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.58 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.51 111.1 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 2.17 110.921 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 4.17 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.43 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 2.36 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.81 111.103 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.419 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.95 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.4 111.233 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.32 111.056 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 2.31 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' MET . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' A' ' 23' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.431 ' N ' HD11 ' A' ' 15' ' ' ILE . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 50.1 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.695 0.283 . . . . 0.0 110.761 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 26' ' ' MET . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 89' ' ' LEU . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CD1' ' ND2' ' A' ' 118' ' ' ASN . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.785 0.326 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.464 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.412 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.402 ' ND2' ' CD1' ' A' ' 38' ' ' LEU . 48.1 t30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.855 0.36 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 19' ' ' ASP . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.436 ' HA2' ' HB ' ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' ASP . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.8 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CE2' ' CG2' ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.436 ' HB ' ' HA2' ' A' ' 20' ' ' GLY . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG2' ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.425 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.404 ' C ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 121' ' ' HIS . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.432 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 26' ' ' MET . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.426 ' N ' HD11 ' A' ' 15' ' ' ILE . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD2' HD21 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 11' ' ' ALA . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.655 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.655 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 139' ' ' ILE . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 26' ' ' MET . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.431 ' N ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 66' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.458 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 27' ' ' TYR . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' MET . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 59' ' ' SER . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CD1' HD23 ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CG ' ' CE1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.455 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.484 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 61' ' ' PHE . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 73' ' ' GLU . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' ' CG2' ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.468 ' N ' ' HB1' ' A' ' 11' ' ' ALA . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 61' ' ' PHE . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' CG ' HD11 ' A' ' 124' ' ' LEU . 44.2 m170 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' MET . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.424 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 13.5 m120 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.44 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.609 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.403 ' CB ' ' CG ' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.403 ' CG ' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.428 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.473 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.419 ' HG3' ' CE1' ' A' ' 93' ' ' TYR . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.452 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.428 HD23 ' CG ' ' A' ' 61' ' ' PHE . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.447 ' ND1' ' CZ ' ' A' ' 91' ' ' TYR . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' CD ' ' CD ' ' A' ' 64' ' ' LYS . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 63' ' ' LYS . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.442 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.442 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.2 t30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 134' ' ' LYS . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 139' ' ' ILE . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 72' ' ' ILE . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 26' ' ' MET . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.434 ' N ' HD11 ' A' ' 15' ' ' ILE . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 34' ' ' PHE . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.721 0.296 . . . . 0.0 110.813 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HB ' ' A' ' 41' ' ' THR . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.403 ' CD1' ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' HB ' ' HA3' ' A' ' 20' ' ' GLY . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' CB ' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 81' ' ' ARG . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 92' ' ' ILE . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.434 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' CD1' ' A' ' 37' ' ' LEU . 11.0 t-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.408 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.834 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 73' ' ' GLU . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' THR . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.414 ' N ' ' HB1' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 61' ' ' PHE . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.439 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.671 0.272 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 26' ' ' MET . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.436 ' CB ' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.436 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CD2' HD22 ' A' ' 103' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 61' ' ' PHE . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' ASP . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.401 ' N ' ' HA3' ' A' ' 79' ' ' GLY . 15.6 m120 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.41 HG21 ' CE1' ' A' ' 121' ' ' HIS . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.41 ' CE1' HG21 ' A' ' 120' ' ' THR . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 134' ' ' LYS . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 13.9 m120 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.467 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 18' ' ' ILE . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.414 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 14' ' ' LEU . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 11' ' ' ALA . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.413 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 9.8 m120 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.466 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 26' ' ' MET . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.404 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.449 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.434 ' HA ' HD13 ' A' ' 125' ' ' LEU . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 122' ' ' GLU . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 17.9 m120 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 139' ' ' ILE . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.644 0.259 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 74' ' ' VAL . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' MET . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 69' ' ' ALA . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 11' ' ' ALA . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' PHE . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.419 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.642 0.258 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' N ' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 17.9 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.4 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 61' ' ' PHE . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' MET . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' HB ' HD21 ' A' ' 14' ' ' LEU . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.407 ' N ' HD11 ' A' ' 15' ' ' ILE . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.417 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 66' ' ' VAL . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' HB3' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 61' ' ' PHE . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.8 t30 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.407 ' CD2' HD22 ' A' ' 124' ' ' LEU . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 7.6 m-20 -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.772 0.32 . . . . 10.73 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 27.6 m 60.12 30.23 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 9.91 110.876 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -37.74 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 7.64 110.82 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.3 m -95.93 83.71 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 6.82 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.5 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 7.82 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.12 29.67 0.83 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 7.52 111.363 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.1 mt -101.46 32.77 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 5.12 110.789 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -85.51 123.64 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 4.0 111.008 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -67.04 159.38 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.41 110.743 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.55 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.8 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.55 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.42 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 24' ' ' LYS . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 2.17 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 1.53 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 3.17 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 1.21 110.918 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.62 111.362 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.87 112.832 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 1.27 110.444 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.73 111.371 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 2.06 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 1.27 111.337 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.442 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.53 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 2.27 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 3.13 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.27 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 2.24 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.442 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 1.45 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 2.14 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.25 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CE2' HG23 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 2.23 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 3.0 110.84 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 1.45 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.404 ' CD1' ' OD1' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.86 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 1.47 111.467 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 1.29 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.3 111.031 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 75.62 138.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.83 111.25 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.98 41.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 3.97 110.613 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -56.6 94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 2.56 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 23.38 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 5.6 110.936 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.74 -22.74 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 6.39 111.224 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m 69.06 51.2 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 4.17 110.882 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -89.95 -48.45 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 6.39 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.01 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 4.84 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.92 22.66 3.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.788 -0.72 . . . . 2.63 112.721 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.5 t -151.61 30.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 2.97 111.021 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.36 -26.48 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 3.05 110.975 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.65 42.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 3.84 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 2.68 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.98 112.588 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.52 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.04 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.26 111.106 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.94 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 1.28 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 2.23 111.115 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 1.28 110.906 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.68 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.98 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.57 111.231 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 2.14 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 2.25 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.433 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 3.03 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.89 110.529 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.35 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.92 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.425 HG23 ' CE2' ' A' ' 34' ' ' PHE . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 1.33 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CE1' ' CG ' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.61 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.5 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 2.37 110.936 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' CG ' ' CE1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.91 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.45 110.819 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.63 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 3.25 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.38 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.87 110.821 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.71 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.98 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.102 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 2.39 110.792 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.2 111.022 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 2.42 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 1.3 111.128 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.1 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 3.01 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.89 110.971 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 1.2 110.968 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.99 111.013 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.92 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 1.28 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 1.19 111.04 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 1.35 111.059 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 4.18 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 3.04 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.87 112.239 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 2.03 111.112 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 1.27 111.239 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 3.17 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 2.06 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.71 -162.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -145.63 106.58 4.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 5.55 111.073 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 48.6 t -95.74 125.16 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 2.28 110.907 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.73 -43.03 85.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 5.43 111.106 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.95 147.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 5.5 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.01 -42.83 1.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 1.82 112.556 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' OD1' ' CD1' ' A' ' 37' ' ' LEU . 1.6 t30 -111.81 95.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 3.31 111.048 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 3.18 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 2.09 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 2.23 111.356 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.68 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.58 110.777 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 2.07 110.819 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 4.22 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.87 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.83 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.8 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.58 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.51 111.1 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 2.17 110.921 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 4.17 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.43 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 2.36 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.81 111.103 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.419 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.95 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.4 111.233 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.32 111.056 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.23 18.47 21.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 2.31 111.056 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.92 27.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 2.9 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.3 55.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 2.8 110.765 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.87 105.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 4.62 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.19 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 5.03 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.35 68.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 6.85 110.916 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.7 t -60.67 86.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 7.51 110.886 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.27 126.52 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 8.43 112.453 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 11.98 110.992 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 60.39 31.17 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.62 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.3 p -113.1 35.56 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.81 157.33 46.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -116.2 -171.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 mt -89.92 110.42 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -119.94 130.56 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -70.57 152.4 43.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.432 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 26' ' ' MET . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' A' ' 23' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.426 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.597 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.431 ' N ' HD11 ' A' ' 15' ' ' ILE . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.461 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.437 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.443 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 76.39 -71.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 47.61 29.28 1.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.5 p -59.41 89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 22.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -119.42 -21.21 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 m 68.41 71.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -97.7 -50.46 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.08 19.16 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.7 t -151.79 30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.91 0.386 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -70.66 -27.48 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 45.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.443 HG22 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.428 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.428 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CE1' ' A' ' 76' ' ' PHE . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.03 -178.84 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -131.55 103.72 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 36.3 t -99.49 111.36 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -102.73 31.15 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -30.95 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.87 -27.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -71.55 82.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.419 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -114.62 31.36 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.77 179.66 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -114.63 164.71 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.14 160.15 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.15 35.19 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.5 t -148.47 -170.55 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.14 -34.77 5.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -105.9 -177.86 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -138.63 35.6 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 p -120.2 161.57 20.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -60.48 -69.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -168.73 152.0 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -106.96 47.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -94.15 168.03 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -115.51 156.19 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.761 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' VAL . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 26' ' ' MET . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.54 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HG ' ' HB2' ' A' ' 89' ' ' LEU . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' CD1' ' ND2' ' A' ' 118' ' ' ASN . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 74.66 139.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -164.97 32.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 56.2 p -101.11 21.6 13.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.295 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER 37.88 32.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.999 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 52.3 22.06 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.9 m -167.41 62.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.785 0.326 . . . . 0.0 110.988 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' CB ' ' HB ' ' A' ' 44' ' ' THR . 9.0 ttmm -107.6 -44.58 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.18 -39.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 159.65 47.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.451 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 50' ' ' GLY . 8.5 p 44.9 52.97 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.146 0.498 . . . . 0.0 111.671 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -32.36 57.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 29.57 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 ' O ' ' HB1' ' A' ' 11' ' ' ALA . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.459 HG21 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' CB ' ' CA ' ' A' ' 117' ' ' GLY . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.464 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.412 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.402 ' CB ' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -56.95 -167.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -128.23 46.85 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.65 89.58 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -102.29 41.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.789 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.409 ' CA ' ' CB ' ' A' ' 80' ' ' GLN . . . -86.56 8.65 74.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.974 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 117' ' ' GLY . 48.1 t30 176.49 132.63 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.416 ' HB2' ' CE1' ' A' ' 91' ' ' TYR . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.07 30.78 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -162.32 32.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.81 -52.91 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.46 108.64 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -157.65 -46.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -147.99 161.44 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.5 p -67.16 162.39 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -120.43 -169.02 13.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.893 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -103.57 31.38 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.23 -67.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -130.81 177.67 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 109.45 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -148.59 75.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.2 80.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -119.88 124.43 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -66.99 158.84 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 19' ' ' ASP . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.436 ' HA2' ' HB ' ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 19' ' ' ASP . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.415 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.412 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.8 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CE2' ' CG2' ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 78.04 141.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -148.45 -46.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 p 55.5 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.72 23.42 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.62 -163.2 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.003 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -131.71 48.2 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -79.75 -44.97 19.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.774 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 17.28 4.56 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.806 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.6 t -152.02 29.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.019 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -33.03 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 36.36 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.436 ' HB ' ' HA2' ' A' ' 20' ' ' GLY . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG2' ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.425 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.422 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -63.85 -165.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -136.96 71.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.9 t -108.06 74.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -95.21 44.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 29.36 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 124.43 -36.56 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.595 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -82.68 61.05 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.404 ' C ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 121' ' ' HIS . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.432 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.432 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.85 30.89 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.16 29.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.98 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.88 139.43 37.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.76 -42.14 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.54 120.85 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.92 -60.81 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.4 m -145.12 125.05 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.85 -121.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.886 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -162.43 154.67 19.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -61.45 135.31 57.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 p -90.6 157.74 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 60.14 81.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -104.11 33.91 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.29 95.29 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -123.01 167.89 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp -89.88 155.57 19.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB2' HG23 ' A' ' 74' ' ' VAL . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 HD11 ' N ' ' A' ' 26' ' ' MET . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.426 ' N ' HD11 ' A' ' 15' ' ' ILE . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 73.71 139.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -148.15 -51.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.26 93.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 23.13 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -124.28 -31.11 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.73 60.36 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -90.65 -47.14 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.36 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.04 -21.79 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.2 t -125.1 36.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -31.91 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.37 37.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.421 ' CD2' HD21 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.411 HG23 ' HB2' ' A' ' 11' ' ' ALA . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.426 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.04 -166.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -145.15 106.0 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.5 p -88.09 160.0 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -58.92 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.74 149.06 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.63 -40.21 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -87.75 66.71 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.42 ' CG ' HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.42 HD21 ' CG ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.655 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.655 ' N ' ' HG3' ' A' ' 133' ' ' LYS . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.442 HG21 HD13 ' A' ' 139' ' ' ILE . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.496 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p -98.36 27.88 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 30.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -112.67 89.32 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.51 174.19 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.16 146.14 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -156.59 31.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.5 t -110.06 87.13 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.25 -137.95 13.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 t -144.9 113.63 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -132.25 144.2 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 t -64.37 150.06 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -68.21 -179.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -60.25 -49.73 76.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -102.78 125.92 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -118.18 167.98 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -89.58 146.09 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 26' ' ' MET . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.404 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.404 ' CG1' ' HA ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.431 ' N ' HD12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' HB3' ' CE1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 76.57 116.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.63 40.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.759 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 p -57.1 95.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 23.05 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -121.82 -26.8 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.08 58.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.011 0.434 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.07 -53.25 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.94 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.89 -18.21 2.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.801 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.9 p -119.22 25.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 111.238 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -61.6 -31.06 71.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 36.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 66' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.413 ' HE3' ' CE1' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.21 -23.74 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 63.15 113.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.6 p -114.68 161.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.58 -59.11 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.27 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.95 -27.42 29.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.918 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -106.74 41.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.458 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m -117.84 32.37 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.49 31.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -117.56 116.23 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.8 94.32 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -120.17 83.33 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.59 172.61 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -69.25 123.78 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -119.92 -158.26 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -72.18 -50.61 26.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.03 145.86 35.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.4 p -110.87 126.94 55.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -144.86 116.16 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HE3' ' CE1' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -139.99 171.72 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.86 167.36 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -104.18 163.01 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -85.23 147.31 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HA ' ' CD1' ' A' ' 27' ' ' TYR . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' MET . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.401 ' CA ' ' HA ' ' A' ' 59' ' ' SER . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.424 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.464 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 166.17 94.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -116.41 47.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.068 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.37 91.02 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.01 24.26 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.77 -164.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.964 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -133.33 48.07 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -59.59 -42.59 92.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.38 2.89 4.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.085 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 16.1 t -149.29 31.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.852 0.326 . . . . 0.0 111.075 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 38.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CD1' HD23 ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.481 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.428 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.441 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.443 ' CG ' ' CE1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.455 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.484 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.484 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 61' ' ' PHE . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -57.86 -165.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -148.79 89.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 28.8 t -74.01 156.63 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -59.05 -49.01 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 pttp 178.24 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.28 -54.67 18.9 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.863 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -98.41 90.1 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.412 ' CE1' ' HE3' ' A' ' 6' ' ' LYS . 6.6 m170 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t -112.41 23.54 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 176.52 39.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -101.99 166.51 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -109.12 -28.8 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 68.73 -68.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -96.3 74.35 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -103.68 -170.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -132.12 77.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.928 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.86 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -138.71 175.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.45 -46.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -97.75 170.3 9.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 mttm 60.87 88.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -147.89 -47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -141.51 83.12 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t60 -98.37 139.3 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -112.1 154.83 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 73' ' ' GLU . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.406 ' HA ' ' HA ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.441 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.404 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' ' CG2' ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.76 65.53 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -98.54 38.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -77.19 93.7 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 23.75 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.78 -25.58 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.67 62.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -78.77 -45.27 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.46 17.52 3.93 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.91 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 t -152.12 30.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -24.54 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.77 42.84 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 HD11 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' N ' ' HB1' ' A' ' 11' ' ' ALA . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.424 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.421 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 61' ' ' PHE . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.91 162.49 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 14.3 p -68.12 159.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -55.77 -57.98 9.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.82 149.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.89 -30.71 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -101.94 38.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' CG ' HD11 ' A' ' 124' ' ' LEU . 44.2 m170 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.414 HD11 ' CG ' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.428 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p -107.94 30.47 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.06 29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -127.8 124.81 38.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.51 110.13 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -107.51 74.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -177.19 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -134.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 164.3 42.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.6 p -106.3 143.13 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -99.71 36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -102.26 127.58 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -93.13 -43.62 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 72.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -125.13 32.54 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -99.8 120.06 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -106.5 159.04 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' MET . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.408 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.408 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.408 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.23 136.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -157.09 -43.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.367 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.0 t -48.78 92.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.82 35.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -141.88 89.56 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m 60.0 67.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -112.46 -35.18 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.199 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 71.45 -62.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.475 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.88 35.07 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.58 -36.02 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.39 -37.84 0.73 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 111.036 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 26.84 0.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.184 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.415 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.447 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.05 174.06 9.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 113' ' ' TYR . 4.0 m-85 -116.38 110.12 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.402 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 13.6 p -92.45 16.14 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 69.93 -66.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 169.42 147.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.03 -27.96 9.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.165 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -111.66 28.66 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 13.5 m120 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p -126.98 28.58 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -161.74 30.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.98 172.05 3.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -159.58 144.5 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -88.63 148.33 24.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 60.73 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 m -82.27 93.51 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.88 138.36 3.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.91 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.807 0.337 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 p -71.79 150.53 44.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.65 168.58 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -161.67 155.13 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -92.99 118.59 31.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -89.99 115.91 27.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.11 106.92 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -123.02 155.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -73.12 159.05 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.44 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.609 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.417 ' N ' ' CD1' ' A' ' 15' ' ' ILE . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.609 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 174.26 159.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.43 33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -77.88 77.45 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.781 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 58.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 65.31 94.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 49' ' ' LYS . 0.7 OUTLIER -171.38 72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 47' ' ' THR . 38.3 tttt 79.56 -32.4 0.14 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.148 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' H ' ' C ' ' A' ' 47' ' ' THR . 0.0 OUTLIER 171.38 -33.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.56 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.19 12.19 6.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.673 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.73 3.42 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -20.51 55.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.16 41.44 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.436 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.403 ' CB ' ' CG ' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.403 ' CG ' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.55 178.74 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.05 94.55 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.4 p -76.31 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -61.18 -57.51 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.61 157.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.64 -30.82 8.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -97.24 89.57 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.428 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.428 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m -124.92 30.36 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 30.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.33 157.22 46.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 60.32 31.49 20.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -121.73 -42.86 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.78 78.36 1.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.9 t -140.49 167.06 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -172.43 24.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.9 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -102.29 163.31 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -156.59 121.08 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 t -63.58 179.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 88.33 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 97.82 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 HD23 ' CE1' ' A' ' 121' ' ' HIS . 0.3 OUTLIER -110.91 87.05 2.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -113.24 115.09 27.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.51 159.14 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.409 ' HA2' ' HB ' ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' CD2' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.419 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.473 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 77.45 146.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -164.65 37.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.3 p -58.7 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 23.47 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -132.79 -37.64 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 74.91 51.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.971 0.415 . . . . 0.0 110.796 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -72.11 -40.47 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.76 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.13 20.23 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.975 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.1 t -141.61 31.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.15 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -79.18 -21.62 46.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.31 35.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.769 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.452 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.42 ' O ' HG22 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.432 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.419 ' HG3' ' CE1' ' A' ' 93' ' ' TYR . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.452 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.428 HD23 ' CG ' ' A' ' 61' ' ' PHE . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.33 -165.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -132.0 92.79 3.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.5 t -110.29 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -97.95 31.2 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -100.39 -28.75 12.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.18 -26.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -66.86 81.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' ND1' ' CZ ' ' A' ' 91' ' ' TYR . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.42 30.16 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -171.34 34.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -110.83 96.33 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.81 -39.55 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.88 178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.72 100.04 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -63.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.84 -169.86 18.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 -176.87 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -123.67 -69.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.03 -65.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 171.79 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -113.07 150.63 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.22 81.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -109.37 167.97 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER -67.64 151.6 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.402 ' CD1' ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.413 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.44 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.49 162.11 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -168.6 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.57 84.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.58 31.48 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.736 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -151.36 -40.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.031 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.91 69.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -96.6 -44.28 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -177.67 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' HG2' ' A' ' 49' ' ' LYS . . . 116.5 26.91 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.585 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.9 t -148.35 23.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 111.29 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.45 -23.49 61.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -162.4 37.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.414 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.416 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' CD ' ' CD ' ' A' ' 64' ' ' LYS . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 63' ' ' LYS . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.421 ' CE2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' HA2' ' HA3' ' A' ' 117' ' ' GLY . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.421 ' HG2' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.422 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.442 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.442 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.36 -165.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -146.96 104.82 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.068 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.7 t -88.46 -64.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 62.57 88.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.61 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.773 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.401 ' HA3' ' HA2' ' A' ' 79' ' ' GLY . . . -171.15 -39.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -79.01 84.13 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 134' ' ' LYS . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.411 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.427 HD12 HG22 ' A' ' 139' ' ' ILE . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.411 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p -93.46 23.28 4.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 142' ' ' GLU . 1.4 tt0 -169.58 51.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.298 0.57 . . . . 0.0 110.207 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.82 -56.37 2.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.06 162.32 29.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.25 90.7 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.03 165.08 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 p -85.84 154.69 21.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -151.12 -63.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -78.59 128.98 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -109.35 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 p -120.85 -48.5 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -122.05 77.79 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 71.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.99 92.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.28 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER -79.64 151.79 30.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.429 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 72' ' ' ILE . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HD11 ' N ' ' A' ' 26' ' ' MET . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.434 ' N ' HD11 ' A' ' 15' ' ' ILE . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.96 138.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -175.91 37.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.44 83.6 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 24.56 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.69 -28.14 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.05 38.49 3.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.88 -49.0 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.38 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.78 11.1 2.17 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.221 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.2 t -144.91 31.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.055 0.427 . . . . 0.0 111.067 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.77 -31.44 70.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.93 31.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.488 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 11' ' ' ALA . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 34' ' ' PHE . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 76' ' ' PHE . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CE1' ' HG3' ' A' ' 98' ' ' MET . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.426 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.459 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.44 -167.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 113' ' ' TYR . 1.8 p90 -140.65 86.91 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.92 160.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.035 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.22 -54.92 14.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 pttt 171.55 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -54.92 -60.39 8.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.859 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -75.89 82.27 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m -123.52 30.1 6.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 32.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -97.88 36.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.41 86.75 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.33 131.52 49.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -44.43 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -105.11 153.68 21.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.98 -56.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.877 0.37 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 m -124.87 -68.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.74 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -144.48 -51.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 164.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 87.07 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 tp -158.15 37.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -97.86 104.01 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -81.03 159.13 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.407 ' HA3' ' HB ' ' A' ' 41' ' ' THR . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.485 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.412 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.415 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.403 ' CD1' ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' HB ' ' HA3' ' A' ' 20' ' ' GLY . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' CB ' ' HA2' ' A' ' 55' ' ' GLY . . . 65.66 -178.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.63 -42.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.38 62.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.155 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 42.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -164.09 -48.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.2 71.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -103.61 -50.24 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.355 179.427 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 31.12 37.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.365 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 110.86 41.28 1.21 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.428 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' CG1' ' O ' ' A' ' 50' ' ' GLY . 7.4 p 45.64 53.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.169 0.509 . . . . 0.0 111.453 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.8 -30.76 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 30.8 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.41 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD1' ' HG2' ' A' ' 81' ' ' ARG . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 92' ' ' ILE . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.434 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.29 -167.44 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -128.62 129.91 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 11.9 p -95.14 0.24 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.566 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 74.16 -60.71 0.52 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.91 155.49 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.56 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' ND2' ' CD1' ' A' ' 37' ' ' LEU . 11.0 t-20 -101.74 -142.25 0.35 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.408 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -121.83 33.91 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 30.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.98 -77.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -177.29 160.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.58 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -105.21 133.79 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 -31.45 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -82.1 -66.23 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.789 0.328 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -132.21 -62.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -135.54 130.13 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.0 p -90.37 117.11 28.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -95.84 -179.83 4.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.05 -66.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -79.87 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -109.75 143.04 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 159.45 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 73' ' ' GLU . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' THR . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 25' ' ' LEU . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 41' ' ' THR . . . 164.55 102.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -132.8 52.53 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.24 87.91 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 24.19 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.022 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -113.86 -25.46 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.42 38.5 2.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -79.24 -49.12 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.76 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -11.28 2.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.02 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.0 t -130.39 26.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.907 0.354 . . . . 0.0 111.363 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.66 32.39 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.403 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.471 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.414 ' N ' ' HB1' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.406 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.425 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.451 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.424 ' CD2' ' HB2' ' A' ' 61' ' ' PHE . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' HB ' ' CZ ' ' A' ' 113' ' ' TYR . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.5 -27.81 64.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.428 ' CZ ' ' HB ' ' A' ' 111' ' ' VAL . 68.7 m-85 64.4 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 16.9 t -111.8 113.43 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -101.78 30.25 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.39 -31.05 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.56 0.27 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.556 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -64.61 81.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.439 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.43 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p -114.4 30.28 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.56 31.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -152.53 76.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -73.98 152.72 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.17 79.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.89 173.38 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.2 t -78.52 93.6 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 106.04 130.15 6.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.899 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.814 0.34 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -115.03 105.85 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -75.87 120.08 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p -125.6 53.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -24.04 59.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 93' ' ' TYR . 7.9 tt 64.45 103.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -123.0 114.88 21.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 159.17 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.412 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 26' ' ' MET . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.445 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.431 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.436 ' CB ' ' HA2' ' A' ' 55' ' ' GLY . . . 64.06 178.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -177.01 36.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.721 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.7 p -99.76 80.81 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 28.45 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -162.95 28.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m 64.74 72.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.708 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -50.93 -58.08 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.153 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.27 58.44 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.476 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.601 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 5.4 t 46.93 60.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.713 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -28.2 63.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.003 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.59 41.32 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.431 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.436 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.426 ' CD2' HD22 ' A' ' 103' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.421 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.426 HD22 ' CD2' ' A' ' 61' ' ' PHE . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 40' ' ' ASP . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.04 166.06 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.91 89.08 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -69.13 -46.43 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 52.43 56.22 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -141.9 -44.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.102 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.26 -29.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.824 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.401 ' N ' ' HA3' ' A' ' 79' ' ' GLY . 15.6 m120 -62.29 80.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.41 HG21 ' CE1' ' A' ' 121' ' ' HIS . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.41 ' CE1' HG21 ' A' ' 120' ' ' THR . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 134' ' ' LYS . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.431 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 13.9 m120 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m -98.42 36.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.27 27.34 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.99 150.15 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.54 116.91 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.84 -65.17 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.72 156.03 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.6 p -140.57 156.26 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.75 -153.64 9.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 60.5 35.2 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -73.1 -46.22 52.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -96.18 149.82 21.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -110.67 128.2 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.1 72.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.04 -25.69 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.91 167.95 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.22 158.96 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 HD21 ' N ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.467 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG23 HD11 ' A' ' 18' ' ' ILE . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.414 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 ' CG2' HD22 ' A' ' 14' ' ' LEU . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 172.59 110.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.79 31.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.86 79.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 23.59 7.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.095 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.76 -163.8 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.973 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.05 43.83 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.96 -57.71 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.04 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.0 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.3 p -118.52 21.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.812 0.339 . . . . 0.0 111.388 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.38 -31.16 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -142.35 29.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.462 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.414 ' CB ' ' HA2' ' A' ' 20' ' ' GLY . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 14' ' ' LEU . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.409 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 HG22 ' HB1' ' A' ' 11' ' ' ALA . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.418 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.413 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.445 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.457 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.69 -164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -150.12 78.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 42.4 t -71.77 157.8 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.992 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -63.48 -51.62 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.26 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.045 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.8 -55.63 17.1 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.863 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -91.69 86.97 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 9.8 m120 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.11 29.64 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.33 37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -95.03 128.79 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -176.62 164.71 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -75.94 -48.3 21.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.95 146.47 42.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.9 m -100.23 -37.37 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.53 -160.61 10.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.64 31.56 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.44 -55.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 108.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -69.79 -33.53 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 59.84 77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -151.86 26.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -123.1 150.45 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm -93.88 148.16 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HG ' ' HB ' ' A' ' 66' ' ' VAL . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 26' ' ' MET . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.425 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.438 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 32' ' ' MET . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 69.4 164.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -174.95 53.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.702 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -63.91 99.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 28.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -167.35 -148.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.6 m -94.41 37.01 1.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.572 ' HD2' ' C ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -75.41 -8.64 57.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.539 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 72.19 -58.87 0.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 110.912 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.79 22.63 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.781 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.3 t -152.55 20.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.694 0.283 . . . . 0.0 111.429 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.07 -3.87 57.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.686 0.279 . . . . 0.0 111.153 179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.08 31.18 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.427 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.409 ' HB ' ' HG ' ' A' ' 14' ' ' LEU . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.404 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.466 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.449 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.449 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' CD2' ' CD1' ' A' ' 61' ' ' PHE . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.07 167.94 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.62 98.34 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 13.1 p -70.43 159.33 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -59.87 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mttt 172.08 150.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.964 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.98 -29.14 13.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -107.97 92.9 4.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.434 ' HA ' HD13 ' A' ' 125' ' ' LEU . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 122' ' ' GLU . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 17.9 m120 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.443 HD11 HG23 ' A' ' 139' ' ' ILE . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.413 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -120.85 37.65 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.86 30.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -98.01 36.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -175.74 128.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -131.83 -47.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -124.86 176.28 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.96 32.16 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.83 -98.03 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -143.87 129.35 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 60.64 38.33 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.93 37.68 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -125.63 148.35 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -169.44 162.08 10.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -76.25 -175.89 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -115.65 120.63 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.447 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm -82.99 155.83 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.513 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' HB1' HG22 ' A' ' 74' ' ' VAL . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' MET . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.411 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.455 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.657 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 69.1 139.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -177.14 50.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.84 99.32 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 23.4 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -29.08 5.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.3 74.54 0.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -95.56 -51.62 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.85 29.83 1.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.697 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 t -152.69 28.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 111.145 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.16 -14.97 48.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.93 37.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.405 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.546 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' H ' ' C ' ' A' ' 69' ' ' ALA . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 72' ' ' ILE . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 HG22 ' HB1' ' A' ' 11' ' ' ALA . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.427 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.427 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.409 ' O ' ' CE2' ' A' ' 76' ' ' PHE . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.447 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.439 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.405 ' CD2' ' HB2' ' A' ' 61' ' ' PHE . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.88 -165.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.52 96.61 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.27 -84.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 39.7 t80 178.35 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.683 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -64.8 -69.93 1.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.66 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 52.7 m-20 -73.65 81.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.419 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.95 30.77 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.23 28.81 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.86 37.22 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.01 112.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.67 -169.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -77.79 131.08 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 147.69 50.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 61.1 -165.11 16.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 -179.71 7.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -75.61 171.32 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -107.8 -50.45 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -59.85 140.02 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.98 100.65 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -174.69 66.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -103.72 122.17 44.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -76.74 155.17 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.523 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' O ' ' CB ' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 11' ' ' ALA . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HD13 ' N ' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.452 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.418 ' HA ' ' HA ' ' A' ' 31' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 17.9 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.465 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 175.24 139.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.17 79.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.12 82.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.89 28.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -115.96 -36.72 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m 65.38 37.57 6.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -54.35 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -44.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.91 46.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.623 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -156.24 -76.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.82 0.343 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 80.8 -35.57 0.12 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER 163.54 39.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.534 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.429 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . 0.464 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.4 ' CB ' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 61' ' ' PHE . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.59 -28.53 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 64.33 97.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.08 106.1 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -101.93 33.03 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -114.07 29.7 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.55 -45.05 1.37 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.616 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.26 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.404 ' CD1' ' CD1' ' A' ' 38' ' ' LEU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -111.6 31.13 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.1 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.06 176.68 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -128.15 128.65 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.41 -39.12 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 68.79 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 p -78.32 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 122.0 -54.27 0.69 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.835 0.35 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -122.52 95.72 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 60.33 172.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -91.37 159.74 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -75.15 -169.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -95.39 44.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -160.8 129.35 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -83.96 165.45 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -86.81 158.5 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' HB2' ' HA ' ' A' ' 73' ' ' GLU . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HG ' ' CG2' ' A' ' 66' ' ' VAL . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 26' ' ' MET . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' HB ' HD21 ' A' ' 14' ' ' LEU . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' CB ' ' CD1' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.407 ' N ' HD11 ' A' ' 15' ' ' ILE . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.498 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.417 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CB ' ' A' ' 25' ' ' LEU . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.575 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.575 ' HB ' ' HB3' ' A' ' 36' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -176.35 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.95 30.45 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.065 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.34 82.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 23.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.414 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 1.7 t-80 -120.93 -32.1 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.75 68.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' HE3' ' CE1' ' A' ' 46' ' ' HIS . 21.1 mttt -121.06 -43.0 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.22 29.5 1.46 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.808 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.3 t -151.63 31.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.026 179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -93.47 12.62 24.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.35 36.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.436 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 66' ' ' VAL . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.481 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' N ' ' HB3' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.407 ' O ' ' CD2' ' A' ' 76' ' ' PHE . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.436 ' HG ' ' CE1' ' A' ' 61' ' ' PHE . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.26 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -134.72 85.6 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.3 t -98.62 94.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -97.55 31.42 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -101.39 -29.26 12.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.11 -26.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.614 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -65.45 81.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.413 ' CE1' ' HD3' ' A' ' 5' ' ' LYS . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.407 HD22 ' CD2' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 7.6 m-20 -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -106.88 29.25 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.38 37.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.0 157.28 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -152.03 -47.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.62 168.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.19 31.1 6.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.09 86.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.75 57.54 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.282 . . . . 2.01 110.743 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.55 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.87 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.03 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.04 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.56 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.99 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 2.7 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.71 110.918 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' THR . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.02 111.362 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.704 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.65 112.832 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 18' ' ' ILE . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.68 110.444 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.04 111.371 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.52 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.73 111.337 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.04 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 1.56 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 2.57 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.23 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 6.7 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 1.57 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 0.97 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.36 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 2.54 110.84 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.87 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.855 HD13 ' CG ' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.33 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD12 ' OH ' ' A' ' 91' ' ' TYR . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.88 111.467 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.61 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.067 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.74 111.031 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.68 111.25 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 3.47 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.82 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.87 112.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.01 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.04 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.067 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.67 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.49 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.68 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.598 ' HD2' HD23 ' A' ' 103' ' ' LEU . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 1.35 111.115 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.704 HG21 ' O ' ' A' ' 20' ' ' GLY . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.58 110.906 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.18 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.54 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.635 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.03 111.231 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 62' ' ' THR . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 1.58 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 2.6 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.37 110.529 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.744 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.83 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.92 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.82 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.58 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 1.36 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.61 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.14 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' HG3' HD12 ' A' ' 89' ' ' LEU . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 1.94 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.35 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.819 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.21 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 2.67 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.24 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.4 110.821 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.65 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 37' ' ' LEU . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.46 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.59 111.102 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.675 ' OH ' HD12 ' A' ' 38' ' ' LEU . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.53 110.792 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.403 HD13 HG12 ' A' ' 74' ' ' VAL . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.61 111.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 1.55 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.84 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.05 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 2.53 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.416 ' HE2' ' CD1' ' A' ' 124' ' ' LEU . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.971 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.7 HG12 ' CD1' ' A' ' 103' ' ' LEU . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.62 110.968 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.64 111.013 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.92 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.72 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.7 111.04 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 109' ' ' ALA . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.83 111.059 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 3.68 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.37 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.847 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.82 112.239 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 57' ' ' GLU . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 1.41 111.112 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.81 111.239 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 2.78 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 1.49 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.855 ' CG ' HD13 ' A' ' 37' ' ' LEU . 1.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.874 0.368 . . . . 2.6 111.048 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 2.56 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 1.62 111.356 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.2 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 98' ' ' MET . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.06 110.777 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.46 110.819 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 3.69 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.4 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.49 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.02 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.16 111.1 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.74 110.921 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 3.73 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.43 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 1.88 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 132' ' ' ALA . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.35 111.103 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.46 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.847 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.02 111.233 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.32 111.056 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 1.81 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.806 ' O ' HD23 ' A' ' 25' ' ' LEU . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.835 HD13 ' HB ' ' A' ' 66' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 23' ' ' VAL . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 41' ' ' THR . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.827 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.909 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.648 HG21 ' NH1' ' A' ' 87' ' ' ARG . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG12 ' HB1' ' A' ' 109' ' ' ALA . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.986 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.759 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG2' HD11 ' A' ' 108' ' ' LEU . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.986 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 14' ' ' LEU . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 66' ' ' VAL . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.827 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.696 ' HB2' HD11 ' A' ' 89' ' ' LEU . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.672 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 83' ' ' ASP . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 106' ' ' GLN . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.512 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 100' ' ' ASN . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 2.9 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.631 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.631 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 125' ' ' LEU . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 37' ' ' LEU . 50.1 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.526 ' HB3' HG13 ' A' ' 111' ' ' VAL . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.695 0.283 . . . . 0.0 110.761 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.604 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.782 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.827 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.782 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.913 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 92' ' ' ILE . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.832 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 37' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.935 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.785 0.326 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.935 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.827 HG21 ' O ' ' A' ' 20' ' ' GLY . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.582 ' SD ' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 62' ' ' THR . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 66' ' ' VAL . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.898 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 14' ' ' LEU . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.685 ' OD1' HD11 ' A' ' 37' ' ' LEU . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' HD21 ' A' ' 89' ' ' LEU . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB2' HD23 ' A' ' 89' ' ' LEU . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.717 HD22 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 34' ' ' PHE . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' ILE . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' SD ' ' A' ' 65' ' ' MET . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.84 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.545 ' CD1' HG12 ' A' ' 99' ' ' VAL . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 100' ' ' ASN . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.436 ' O ' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.696 ' ND2' HD12 ' A' ' 38' ' ' LEU . 48.1 t30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.734 ' CG ' HD21 ' A' ' 124' ' ' LEU . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' A' ' 121' ' ' HIS . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 105' ' ' ARG . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.855 0.36 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.772 HD11 ' HG3' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.677 ' O ' HG21 ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.621 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.422 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.773 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.91 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.3 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.887 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 89' ' ' LEU . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.829 ' HB3' HD13 ' A' ' 125' ' ' LEU . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG12 ' HB1' ' A' ' 109' ' ' ALA . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.97 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 66' ' ' VAL . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.572 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HB ' HD22 ' A' ' 14' ' ' LEU . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.621 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.773 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.71 ' HB2' HD11 ' A' ' 89' ' ' LEU . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 83' ' ' ASP . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 74' ' ' VAL . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.435 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 103' ' ' LEU . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 104' ' ' VAL . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.581 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.865 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.578 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.693 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' ND2' ' A' ' 100' ' ' ASN . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 38' ' ' LEU . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 132' ' ' ALA . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 107' ' ' GLY . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.443 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 74' ' ' VAL . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.794 ' O ' HD23 ' A' ' 25' ' ' LEU . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.624 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.793 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.67 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.793 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.891 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' NH1' ' A' ' 87' ' ' ARG . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.775 ' CE2' HG11 ' A' ' 74' ' ' VAL . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.67 ' HG2' HG23 ' A' ' 22' ' ' THR . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 38' ' ' LEU . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.895 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.675 ' O ' HG13 ' A' ' 66' ' ' VAL . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.693 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 62' ' ' THR . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.457 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.793 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.775 HG11 ' CE2' ' A' ' 34' ' ' PHE . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.826 ' HB3' HD11 ' A' ' 89' ' ' LEU . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 125' ' ' LEU . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.404 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 103' ' ' LEU . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.503 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.863 HG23 ' HG3' ' A' ' 129' ' ' GLU . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.538 ' ND2' HD11 ' A' ' 37' ' ' LEU . 95.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.789 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.863 ' HG3' HG23 ' A' ' 111' ' ' VAL . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.695 ' HB1' ' HE3' ' A' ' 134' ' ' LYS . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.663 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.695 ' HE3' ' HB1' ' A' ' 130' ' ' ALA . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 108' ' ' LEU . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.504 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.771 ' O ' HD23 ' A' ' 25' ' ' LEU . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.592 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.791 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.565 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.791 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.84 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.918 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 74' ' ' VAL . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.104 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.104 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 65' ' ' MET . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.8 HG23 HG11 ' A' ' 99' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 62' ' ' THR . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.634 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.84 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 11' ' ' ALA . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 87' ' ' ARG . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB2' HD11 ' A' ' 89' ' ' LEU . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' THR . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 74' ' ' VAL . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.634 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.8 HG11 HG23 ' A' ' 62' ' ' THR . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.671 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' OG1' ' A' ' 62' ' ' THR . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' ' 57' ' ' GLU . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.509 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.446 ' OD1' HD11 ' A' ' 37' ' ' LEU . 1.5 m-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.704 ' O ' HD12 ' A' ' 125' ' ' LEU . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 107' ' ' GLY . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.774 ' O ' HD23 ' A' ' 25' ' ' LEU . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.655 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.794 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.821 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.794 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.912 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.783 HD21 HD22 ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.082 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.082 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.821 HG21 ' O ' ' A' ' 20' ' ' GLY . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.881 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 25' ' ' LEU . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 34' ' ' PHE . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.723 ' O ' HD11 ' A' ' 89' ' ' LEU . 1.8 pt20 -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 87' ' ' ARG . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB2' HD23 ' A' ' 89' ' ' LEU . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' VAL . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' ' 98' ' ' MET . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.881 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.49 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 103' ' ' LEU . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 108' ' ' LEU . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.881 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.412 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.544 ' CG ' HD13 ' A' ' 37' ' ' LEU . 7.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.658 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.1 m80 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.519 ' HB1' ' CE ' ' A' ' 134' ' ' LYS . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.519 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 107' ' ' GLY . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.803 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.682 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.838 ' O ' HG21 ' A' ' 62' ' ' THR . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 18' ' ' ILE . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 37' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.772 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.772 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.838 HG21 ' O ' ' A' ' 20' ' ' GLY . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG22 ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.878 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.732 HD13 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.827 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 34' ' ' PHE . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 36' ' ' LEU . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.435 HD13 HG12 ' A' ' 74' ' ' VAL . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.878 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 103' ' ' LEU . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 100' ' ' ASN . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 111' ' ' VAL . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.525 ' O ' HD11 ' A' ' 38' ' ' LEU . 5.1 m-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.796 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.1 m-70 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 107' ' ' GLY . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.402 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.911 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.661 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.797 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.869 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.797 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.911 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 100' ' ' ASN . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 38' ' ' LEU . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.938 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.766 ' HG2' HD21 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.938 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 20' ' ' GLY . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 62' ' ' THR . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.894 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.631 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 89' ' ' LEU . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD13 HG12 ' A' ' 74' ' ' VAL . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 72' ' ' ILE . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' HD12 ' A' ' 103' ' ' LEU . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.595 ' HB3' HD22 ' A' ' 36' ' ' LEU . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' ALA . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.766 HD21 ' HG2' ' A' ' 57' ' ' GLU . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.4 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 64.7 m-20 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.97 HD12 HG22 ' A' ' 22' ' ' THR . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.97 HG22 HD12 ' A' ' 18' ' ' ILE . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.914 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.425 HG21 ' NE ' ' A' ' 87' ' ' ARG . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.691 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.947 HD22 HG21 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD11 ' O ' ' A' ' 118' ' ' ASN . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 HD22 ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.832 HG22 ' HB1' ' A' ' 58' ' ' ALA . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.832 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 103' ' ' LEU . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.651 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.724 ' HB ' HD22 ' A' ' 14' ' ' LEU . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.78 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.788 HG22 ' HB2' ' A' ' 11' ' ' ALA . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.662 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.8 ' HB3' HD11 ' A' ' 89' ' ' LEU . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.596 HD13 HG12 ' A' ' 74' ' ' VAL . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.626 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.405 ' CB ' ' HG3' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' C ' HD21 ' A' ' 100' ' ' ASN . 0.5 OUTLIER -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.842 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 129' ' ' GLU . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.68 ' O ' HD11 ' A' ' 38' ' ' LEU . 10.5 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.413 ' O ' HD13 ' A' ' 125' ' ' LEU . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 123' ' ' GLN . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 38' ' ' LEU . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.677 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.822 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD21 ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.718 HG23 ' NE ' ' A' ' 35' ' ' ARG . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.724 ' CG2' HD21 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.806 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.832 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 22' ' ' THR . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 89' ' ' LEU . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.889 HG22 ' HB1' ' A' ' 58' ' ' ALA . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CG ' HD22 ' A' ' 108' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.702 ' O ' HG13 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 62' ' ' THR . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 66' ' ' VAL . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 25' ' ' LEU . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 11' ' ' ALA . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.548 ' HG2' HD12 ' A' ' 89' ' ' LEU . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.611 ' HB2' HD11 ' A' ' 89' ' ' LEU . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 83' ' ' ASP . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 74' ' ' VAL . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.412 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 HD12 ' A' ' 103' ' ' LEU . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.635 ' O ' HG23 ' A' ' 104' ' ' VAL . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.447 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.62 HD11 ' OG1' ' A' ' 62' ' ' THR . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 109' ' ' ALA . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG23 HD23 ' A' ' 125' ' ' LEU . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.492 ' OD1' HD13 ' A' ' 37' ' ' LEU . 26.3 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.526 ' O ' HD13 ' A' ' 125' ' ' LEU . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 111' ' ' VAL . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 106' ' ' GLN . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.826 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.794 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.768 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.762 HD12 HG22 ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.875 ' O ' HG21 ' A' ' 62' ' ' THR . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.762 HG22 HD12 ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.768 HG12 ' CB ' ' A' ' 17' ' ' ALA . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.897 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 18' ' ' ILE . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.723 HD22 ' OD1' ' A' ' 118' ' ' ASN . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 125' ' ' LEU . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.933 HG22 ' HB1' ' A' ' 58' ' ' ALA . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HG22 ' A' ' 139' ' ' ILE . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.933 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.875 HG21 ' O ' ' A' ' 20' ' ' GLY . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 14' ' ' LEU . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.723 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 72' ' ' ILE . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.735 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.717 ' CG1' HD13 ' A' ' 25' ' ' LEU . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 118' ' ' ASN . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.497 ' HG2' HD12 ' A' ' 89' ' ' LEU . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.402 ' HE1' HD22 ' A' ' 118' ' ' ASN . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.723 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.445 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG12 HD12 ' A' ' 103' ' ' LEU . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 104' ' ' VAL . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 99' ' ' VAL . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 100' ' ' ASN . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.623 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.723 ' OD1' HD22 ' A' ' 37' ' ' LEU . 11.7 t-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 124' ' ' LEU . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 121' ' ' HIS . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.657 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.657 HD12 ' CB ' ' A' ' 132' ' ' ALA . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 107' ' ' GLY . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.421 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.647 ' O ' HG21 ' A' ' 62' ' ' THR . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.852 HG12 ' HB1' ' A' ' 17' ' ' ALA . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.723 HD21 ' CB ' ' A' ' 118' ' ' ASN . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 125' ' ' LEU . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' CG1' ' HB1' ' A' ' 109' ' ' ALA . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.907 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 108' ' ' LEU . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.647 HG21 ' O ' ' A' ' 20' ' ' GLY . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 14' ' ' LEU . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 11' ' ' ALA . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.795 ' HB3' HD11 ' A' ' 89' ' ' LEU . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.811 ' O ' HG22 ' A' ' 82' ' ' THR . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 72' ' ' ILE . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.644 ' CD1' HG12 ' A' ' 99' ' ' VAL . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' VAL . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.723 ' CB ' HD21 ' A' ' 37' ' ' LEU . 21.4 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 124' ' ' LEU . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 132' ' ' ALA . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.721 0.296 . . . . 0.0 110.813 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 26' ' ' MET . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.71 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' HB1' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 92' ' ' ILE . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.915 HD13 ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.775 HD11 ' HA ' ' A' ' 119' ' ' ASN . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 37' ' ' LEU . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.035 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.035 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.65 ' O ' HG13 ' A' ' 66' ' ' VAL . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.714 ' HB ' HD13 ' A' ' 14' ' ' LEU . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' H ' ' A' ' 14' ' ' LEU . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.857 HG12 HD13 ' A' ' 92' ' ' ILE . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.653 ' HB3' HD11 ' A' ' 89' ' ' LEU . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.857 HD13 HG12 ' A' ' 74' ' ' VAL . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HE3' ' HE1' ' A' ' 65' ' ' MET . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.435 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.614 HG11 HG23 ' A' ' 62' ' ' THR . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.493 ' CB ' HG21 ' A' ' 39' ' ' VAL . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD11 ' OG1' ' A' ' 62' ' ' THR . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 100' ' ' ASN . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' CD ' ' A' ' 129' ' ' GLU . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.915 ' ND2' HD13 ' A' ' 37' ' ' LEU . 11.0 t-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.775 ' HA ' HD11 ' A' ' 38' ' ' LEU . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.777 ' O ' HD12 ' A' ' 125' ' ' LEU . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 125' ' ' LEU . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.526 ' CD ' HG23 ' A' ' 111' ' ' VAL . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 137' ' ' LEU . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.646 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.637 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.796 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.896 ' O ' HG21 ' A' ' 62' ' ' THR . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' HD12 ' A' ' 36' ' ' LEU . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.796 HG12 ' CB ' ' A' ' 17' ' ' ALA . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.783 ' CE2' HG21 ' A' ' 74' ' ' VAL . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' OD1' ' A' ' 21' ' ' ASP . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.694 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD11 ' O ' ' A' ' 118' ' ' ASN . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 37' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.936 HG22 ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.936 ' CB ' HG22 ' A' ' 41' ' ' THR . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.896 HG21 ' O ' ' A' ' 20' ' ' GLY . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' THR . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.88 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HG2' HD12 ' A' ' 89' ' ' LEU . 9.9 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 87' ' ' ARG . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.645 HD13 HG12 ' A' ' 74' ' ' VAL . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.718 ' CD ' HD13 ' A' ' 124' ' ' LEU . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.851 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.408 HG21 ' OE1' ' A' ' 129' ' ' GLU . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 124' ' ' LEU . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.682 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.718 HD13 ' CD ' ' A' ' 101' ' ' GLU . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.408 ' OE1' HG21 ' A' ' 111' ' ' VAL . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.415 HD12 ' CB ' ' A' ' 132' ' ' ALA . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 107' ' ' GLY . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.671 0.272 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.856 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.795 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.746 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.732 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.856 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.742 HD22 HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' CD2' HD22 ' A' ' 89' ' ' LEU . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 118' ' ' ASN . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.803 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.724 ' HD2' HD22 ' A' ' 108' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 20' ' ' GLY . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.599 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 62' ' ' THR . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 66' ' ' VAL . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.732 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 11' ' ' ALA . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 90' ' ' ALA . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 89' ' ' LEU . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 82' ' ' THR . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 83' ' ' ASP . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.742 HG12 HD22 ' A' ' 36' ' ' LEU . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.657 HG12 ' CD1' ' A' ' 103' ' ' LEU . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 100' ' ' ASN . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' HD13 ' A' ' 137' ' ' LEU . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.798 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.798 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 111' ' ' VAL . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.795 ' O ' HD11 ' A' ' 38' ' ' LEU . 15.6 m120 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.822 ' O ' HD12 ' A' ' 125' ' ' LEU . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 121' ' ' HIS . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 105' ' ' ARG . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 63.6 m-20 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLY . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 74' ' ' VAL . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.839 ' O ' HD23 ' A' ' 25' ' ' LEU . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.593 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 63' ' ' LYS . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.51 HG22 ' OD1' ' A' ' 19' ' ' ASP . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' HG22 ' A' ' 18' ' ' ILE . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' HD3' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CE2' HG11 ' A' ' 74' ' ' VAL . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 118' ' ' ASN . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.041 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 108' ' ' LEU . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.041 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 62' ' ' THR . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.925 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.817 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 34' ' ' PHE . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.737 ' O ' HD11 ' A' ' 89' ' ' LEU . 4.8 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.747 ' HB2' HD23 ' A' ' 89' ' ' LEU . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.875 ' O ' HD12 ' A' ' 89' ' ' LEU . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.427 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG22 HG21 ' A' ' 99' ' ' VAL . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.925 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 92' ' ' ILE . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 41' ' ' THR . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.695 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.842 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.848 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.71 ' HB3' HD12 ' A' ' 124' ' ' LEU . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 121' ' ' HIS . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.401 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 132' ' ' ALA . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 48.9 m-20 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.929 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.618 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.885 ' O ' HG21 ' A' ' 62' ' ' THR . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 HD13 ' A' ' 125' ' ' LEU . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.854 HG21 HD22 ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.798 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.798 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' HD21 ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.885 HG21 ' O ' ' A' ' 20' ' ' GLY . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' THR . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.886 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.627 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.929 HG22 ' HB2' ' A' ' 11' ' ' ALA . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 37' ' ' LEU . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 74' ' ' VAL . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 72' ' ' ILE . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.886 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.503 ' CE ' HD13 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.575 HG12 HD12 ' A' ' 103' ' ' LEU . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.707 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD12 HG12 ' A' ' 99' ' ' VAL . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 37' ' ' LEU . 1.8 t-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 125' ' ' LEU . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD13 ' CE ' ' A' ' 98' ' ' MET . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 70.7 m-20 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.644 0.259 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 74' ' ' VAL . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.706 ' O ' HD23 ' A' ' 25' ' ' LEU . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.789 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 22' ' ' THR . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.848 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 35' ' ' ARG . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.789 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.781 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.881 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.3 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 74' ' ' VAL . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 22' ' ' THR . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.803 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD11 ' HA ' ' A' ' 119' ' ' ASN . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 1.047 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 20' ' ' GLY . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.654 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 14' ' ' LEU . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.825 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.781 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 34' ' ' PHE . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.701 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.598 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.67 ' O ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.863 ' O ' HD12 ' A' ' 89' ' ' LEU . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.44 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.576 ' CD1' HG12 ' A' ' 99' ' ' VAL . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.852 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 107' ' ' GLY . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.673 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 37' ' ' LEU . 52.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . 0.601 ' HA ' HD11 ' A' ' 38' ' ' LEU . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.733 ' CB ' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 122' ' ' GLU . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 107' ' ' GLY . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.642 0.258 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.753 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.589 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.813 ' O ' HG21 ' A' ' 62' ' ' THR . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.597 HG23 ' HG2' ' A' ' 35' ' ' ARG . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.873 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 4.2 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 22' ' ' THR . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 89' ' ' LEU . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.749 HG12 ' HB1' ' A' ' 109' ' ' ALA . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.894 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.894 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.813 HG21 ' O ' ' A' ' 20' ' ' GLY . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 62' ' ' THR . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.923 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' NZ ' HG21 ' A' ' 120' ' ' THR . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.833 ' O ' HD11 ' A' ' 89' ' ' LEU . 4.4 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 87' ' ' ARG . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.592 ' HB2' HD23 ' A' ' 89' ' ' LEU . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 82' ' ' THR . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 89' ' ' LEU . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HE2' HD21 ' A' ' 125' ' ' LEU . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 HG12 ' A' ' 74' ' ' VAL . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.923 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 103' ' ' LEU . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.49 ' HB3' HD22 ' A' ' 36' ' ' LEU . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.833 HD22 HG21 ' A' ' 41' ' ' THR . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.674 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.749 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.547 HG23 ' OE2' ' A' ' 129' ' ' GLU . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.448 HG21 ' NZ ' ' A' ' 78' ' ' LYS . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.771 ' HB3' HD21 ' A' ' 124' ' ' LEU . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.547 ' OE2' HG23 ' A' ' 111' ' ' VAL . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.77 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.686 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.764 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.834 HD12 HG22 ' A' ' 22' ' ' THR . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 HD12 ' A' ' 18' ' ' ILE . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.764 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.536 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.789 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.796 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 125' ' ' LEU . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 37' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.974 HG22 ' HB1' ' A' ' 58' ' ' ALA . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.792 ' OG1' HD11 ' A' ' 103' ' ' LEU . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.584 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG22 HG12 ' A' ' 72' ' ' ILE . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.789 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB3' HD11 ' A' ' 89' ' ' LEU . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 83' ' ' ASP . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 74' ' ' VAL . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HG23 ' A' ' 62' ' ' THR . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 104' ' ' VAL . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.792 HD11 ' OG1' ' A' ' 62' ' ' THR . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 100' ' ' ASN . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.546 HD22 HD22 ' A' ' 37' ' ' LEU . 55.8 t30 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.77 ' HB3' HD21 ' A' ' 124' ' ' LEU . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.52 ' CG ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.772 0.32 . . . . 10.46 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 2' ' ' THR . 27.6 m 60.12 30.23 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 9.56 110.876 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -37.74 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 7.46 110.82 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.3 m -95.93 83.71 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 6.51 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.5 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 7.39 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.12 29.67 0.83 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 7.13 111.363 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' LEU . 29.1 mt -101.46 32.77 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 4.73 110.789 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -85.51 123.64 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 3.36 111.008 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -67.04 159.38 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.01 110.743 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.55 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.87 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.03 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.04 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.56 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.99 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 2.7 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.71 110.918 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' THR . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.02 111.362 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.704 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.65 112.832 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 18' ' ' ILE . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.68 110.444 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.04 111.371 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.52 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.73 111.337 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.04 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 1.56 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 2.57 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.23 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 6.7 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 1.57 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 0.97 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.77 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.36 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 2.54 110.84 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.87 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.855 HD13 ' CG ' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.33 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD12 ' OH ' ' A' ' 91' ' ' TYR . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.88 111.467 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.61 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.067 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.74 111.031 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 75.62 138.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.68 111.25 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.98 41.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 3.97 110.613 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -56.6 94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 2.55 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 23.38 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 5.36 110.936 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.74 -22.74 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 5.81 111.224 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m 69.06 51.2 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 3.85 110.882 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -89.95 -48.45 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 5.92 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.01 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 4.42 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.92 22.66 3.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.788 -0.72 . . . . 2.23 112.721 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.605 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.5 t -151.61 30.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 2.46 111.021 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.36 -26.48 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 3.05 110.975 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.65 42.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 3.47 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.82 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.87 112.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.01 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.01 111.04 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.067 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.67 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.49 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.68 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.598 ' HD2' HD23 ' A' ' 103' ' ' LEU . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 1.35 111.115 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.704 HG21 ' O ' ' A' ' 20' ' ' GLY . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.58 110.906 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.18 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.54 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.635 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.03 111.231 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 62' ' ' THR . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 1.58 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 2.6 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.37 110.529 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.744 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.83 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.92 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.82 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.58 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 1.36 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.61 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.14 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' HG3' HD12 ' A' ' 89' ' ' LEU . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 1.94 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.35 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.819 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.21 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 2.67 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.24 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.4 110.821 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.65 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 37' ' ' LEU . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.46 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.59 111.102 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.675 ' OH ' HD12 ' A' ' 38' ' ' LEU . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.53 110.792 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.403 HD13 HG12 ' A' ' 74' ' ' VAL . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.61 111.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 1.55 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.84 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.05 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 2.53 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.416 ' HE2' ' CD1' ' A' ' 124' ' ' LEU . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.33 110.971 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.7 HG12 ' CD1' ' A' ' 103' ' ' LEU . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.62 110.968 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.64 111.013 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.92 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.72 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.7 111.04 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 109' ' ' ALA . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.83 111.059 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 3.68 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.37 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.847 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.82 112.239 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 57' ' ' GLU . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 1.41 111.112 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.81 111.239 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 2.78 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 1.49 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -67.71 -162.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -145.63 106.58 4.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 5.03 111.073 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 118' ' ' ASN . 48.6 t -95.74 125.16 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 2.28 110.907 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.73 -43.03 85.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 5.06 111.106 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.95 147.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 5.13 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.01 -42.83 1.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 1.76 112.556 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.855 ' CG ' HD13 ' A' ' 37' ' ' LEU . 1.6 t30 -111.81 95.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.6 111.048 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 2.56 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 1.62 111.356 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.2 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 98' ' ' MET . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.06 110.777 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.46 110.819 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 3.69 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.4 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.49 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.02 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.16 111.1 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.74 110.921 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 3.73 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.43 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 1.88 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 132' ' ' ALA . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.35 111.103 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.46 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.847 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.02 111.233 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.32 111.056 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.23 18.47 21.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 1.81 111.056 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.92 27.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 2.9 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.3 55.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 2.8 110.765 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.87 105.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 3.95 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.19 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 4.74 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.35 68.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 6.85 110.916 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.7 t -60.67 86.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 7.16 110.886 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.27 126.52 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 8.43 112.453 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 11.47 110.992 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 60.39 31.17 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.62 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.3 p -113.1 35.56 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.81 157.33 46.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -116.2 -171.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 120' ' ' THR . 3.9 mt -89.92 110.42 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -119.94 130.56 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -70.57 152.4 43.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.806 ' O ' HD23 ' A' ' 25' ' ' LEU . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.835 HD13 ' HB ' ' A' ' 66' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 23' ' ' VAL . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 41' ' ' THR . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.827 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.909 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.648 HG21 ' NH1' ' A' ' 87' ' ' ARG . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG12 ' HB1' ' A' ' 109' ' ' ALA . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.986 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.759 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . 76.39 -71.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 47.61 29.28 1.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.87 HG22 ' OE2' ' A' ' 52' ' ' GLU . 11.5 p -59.41 89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 22.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -119.42 -21.21 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 m 68.41 71.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -97.7 -50.46 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.08 19.16 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.7 t -151.79 30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.91 0.386 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 44' ' ' THR . 6.2 pt-20 -70.66 -27.48 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 45.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG2' HD11 ' A' ' 108' ' ' LEU . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.986 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 14' ' ' LEU . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 66' ' ' VAL . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.827 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.696 ' HB2' HD11 ' A' ' 89' ' ' LEU . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.672 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 83' ' ' ASP . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.461 ' O ' ' NE2' ' A' ' 106' ' ' GLN . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.512 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 100' ' ' ASN . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.461 ' NE2' ' O ' ' A' ' 102' ' ' ALA . 2.9 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.631 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.631 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 125' ' ' LEU . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -71.03 -178.84 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -131.55 103.72 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 37' ' ' LEU . 36.3 t -99.49 111.36 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -102.73 31.15 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' H ' HG12 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -105.32 -30.95 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.87 -27.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 37' ' ' LEU . 50.1 t30 -71.55 82.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.416 HG21 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.526 ' HB3' HG13 ' A' ' 111' ' ' VAL . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -114.62 31.36 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.77 179.66 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -114.63 164.71 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.14 160.15 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.15 35.19 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.5 t -148.47 -170.55 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.14 -34.77 5.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -105.9 -177.86 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -138.63 35.6 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 p -120.2 161.57 20.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -60.48 -69.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -168.73 152.0 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -106.96 47.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -94.15 168.03 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -115.51 156.19 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.761 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.782 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.827 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.782 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.913 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 92' ' ' ILE . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.832 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 37' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.935 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 74.66 139.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -164.97 32.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HD2' ' A' ' 48' ' ' LYS . 56.2 p -101.11 21.6 13.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.295 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER 37.88 32.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.999 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 52.3 22.06 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.528 HG22 ' O ' ' A' ' 47' ' ' THR . 93.9 m -167.41 62.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.785 0.326 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.638 ' HD2' HG22 ' A' ' 44' ' ' THR . 9.0 ttmm -107.6 -44.58 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.18 -39.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 159.65 47.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.451 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 51' ' ' VAL . 8.5 p 44.9 52.97 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.146 0.498 . . . . 0.0 111.671 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -32.36 57.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 29.57 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.555 ' H ' HG23 ' A' ' 51' ' ' VAL . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.935 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.827 HG21 ' O ' ' A' ' 20' ' ' GLY . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.582 ' SD ' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 62' ' ' THR . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 66' ' ' VAL . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.898 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 14' ' ' LEU . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.685 ' OD1' HD11 ' A' ' 37' ' ' LEU . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' HD21 ' A' ' 89' ' ' LEU . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB2' HD23 ' A' ' 89' ' ' LEU . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.717 HD22 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 34' ' ' PHE . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' ILE . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' SD ' ' A' ' 65' ' ' MET . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.84 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.545 ' CD1' HG12 ' A' ' 99' ' ' VAL . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 100' ' ' ASN . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.436 ' O ' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -56.95 -167.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -128.23 46.85 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.65 89.58 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -102.29 41.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.789 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 118' ' ' ASN . . . -86.56 8.65 74.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.974 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.696 ' ND2' HD12 ' A' ' 38' ' ' LEU . 48.1 t30 176.49 132.63 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.734 ' CG ' HD21 ' A' ' 124' ' ' LEU . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' A' ' 121' ' ' HIS . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 105' ' ' ARG . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.07 30.78 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -162.32 32.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.81 -52.91 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.46 108.64 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -157.65 -46.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -147.99 161.44 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.5 p -67.16 162.39 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -120.43 -169.02 13.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.893 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -103.57 31.38 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.23 -67.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -130.81 177.67 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 109.45 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -148.59 75.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.2 80.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -119.88 124.43 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -66.99 158.84 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.772 HD11 ' HG3' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.677 ' O ' HG21 ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.621 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.773 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.91 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.3 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.887 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 89' ' ' LEU . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.829 ' HB3' HD13 ' A' ' 125' ' ' LEU . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG12 ' HB1' ' A' ' 109' ' ' ALA . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.97 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 78.04 141.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -148.45 -46.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 p 55.5 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.72 23.42 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.62 -163.2 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.003 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -131.71 48.2 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -79.75 -44.97 19.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.774 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 17.28 4.56 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.806 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.6 t -152.02 29.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -33.03 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 36.36 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 51' ' ' VAL . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 66' ' ' VAL . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.572 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HB ' HD22 ' A' ' 14' ' ' LEU . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.621 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.773 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 117' ' ' GLY . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.71 ' HB2' HD11 ' A' ' 89' ' ' LEU . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 83' ' ' ASP . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 74' ' ' VAL . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.435 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 103' ' ' LEU . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 104' ' ' VAL . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.581 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.865 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.578 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.693 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -63.85 -165.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -136.96 71.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.426 HG13 ' HD3' ' A' ' 116' ' ' LYS . 4.9 t -108.06 74.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -95.21 44.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HD3' HG13 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -124.98 29.36 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 79' ' ' GLY . . . 124.43 -36.56 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.595 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -82.68 61.05 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' ND2' ' A' ' 100' ' ' ASN . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 38' ' ' LEU . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 132' ' ' ALA . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 107' ' ' GLY . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.443 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.85 30.89 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.16 29.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.98 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.88 139.43 37.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.76 -42.14 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.54 120.85 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.92 -60.81 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.4 m -145.12 125.05 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.85 -121.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.886 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -162.43 154.67 19.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -61.45 135.31 57.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 p -90.6 157.74 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 60.14 81.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -104.11 33.91 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.29 95.29 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -123.01 167.89 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp -89.88 155.57 19.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 74' ' ' VAL . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.794 ' O ' HD23 ' A' ' 25' ' ' LEU . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.793 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.67 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.793 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.891 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' NH1' ' A' ' 87' ' ' ARG . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.775 ' CE2' HG11 ' A' ' 74' ' ' VAL . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.67 ' HG2' HG23 ' A' ' 22' ' ' THR . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 38' ' ' LEU . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.895 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 73.71 139.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -148.15 -51.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER 60.26 93.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 23.13 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -124.28 -31.11 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.73 60.36 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -90.65 -47.14 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.36 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.04 -21.79 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.535 HG12 ' O ' ' A' ' 51' ' ' VAL . 14.2 t -125.1 36.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -60.1 -31.91 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.37 37.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.675 ' O ' HG13 ' A' ' 66' ' ' VAL . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.693 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 62' ' ' THR . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.793 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.775 HG11 ' CE2' ' A' ' 34' ' ' PHE . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.826 ' HB3' HD11 ' A' ' 89' ' ' LEU . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 125' ' ' LEU . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.404 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 103' ' ' LEU . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.503 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.863 HG23 ' HG3' ' A' ' 129' ' ' GLU . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.04 -166.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -145.15 106.0 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 115' ' ' TYR . 11.5 p -88.09 160.0 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -56.62 -58.92 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.74 149.06 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.63 -40.21 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.538 ' ND2' HD11 ' A' ' 37' ' ' LEU . 95.7 m-20 -87.75 66.71 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.789 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.863 ' HG3' HG23 ' A' ' 111' ' ' VAL . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.695 ' HB1' ' HE3' ' A' ' 134' ' ' LYS . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.663 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.695 ' HE3' ' HB1' ' A' ' 130' ' ' ALA . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 108' ' ' LEU . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.504 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p -98.36 27.88 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 30.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -112.67 89.32 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.51 174.19 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.16 146.14 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -156.59 31.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.5 t -110.06 87.13 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.25 -137.95 13.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 t -144.9 113.63 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -132.25 144.2 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 t -64.37 150.06 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -68.21 -179.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -60.25 -49.73 76.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -102.78 125.92 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -118.18 167.98 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -89.58 146.09 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.771 ' O ' HD23 ' A' ' 25' ' ' LEU . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.592 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.791 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.565 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.791 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.84 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.918 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 74' ' ' VAL . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 114' ' ' VAL . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.104 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 76.57 116.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.63 40.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.759 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.512 HG22 ' CG ' ' A' ' 52' ' ' GLU . 64.3 p -57.1 95.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 23.05 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -121.82 -26.8 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.08 58.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.011 0.434 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.07 -53.25 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.94 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.89 -18.21 2.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.801 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 51' ' ' VAL . 12.9 p -119.22 25.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 111.238 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' CG ' HG22 ' A' ' 44' ' ' THR . 8.7 pt-20 -61.6 -31.06 71.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 36.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.104 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 65' ' ' MET . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.8 HG23 HG11 ' A' ' 99' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 62' ' ' THR . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.634 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.84 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 11' ' ' ALA . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 87' ' ' ARG . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB2' HD11 ' A' ' 89' ' ' LEU . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' THR . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 74' ' ' VAL . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.634 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.8 HG11 HG23 ' A' ' 62' ' ' THR . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.671 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' OG1' ' A' ' 62' ' ' THR . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' ' 57' ' ' GLU . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.509 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -78.21 -23.74 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 63.15 113.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 38' ' ' LEU . 14.6 p -114.68 161.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 114' ' ' VAL . 2.8 t80 -47.58 -59.11 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.27 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.95 -27.42 29.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.918 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 1.5 m-80 -106.74 41.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.704 ' O ' HD12 ' A' ' 125' ' ' LEU . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 107' ' ' GLY . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m -117.84 32.37 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.49 31.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -117.56 116.23 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.8 94.32 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -120.17 83.33 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.59 172.61 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -69.25 123.78 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -119.92 -158.26 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -72.18 -50.61 26.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.03 145.86 35.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.4 p -110.87 126.94 55.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -144.86 116.16 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.99 171.72 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.86 167.36 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -104.18 163.01 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -85.23 147.31 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.774 ' O ' HD23 ' A' ' 25' ' ' LEU . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.655 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.794 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.821 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.794 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.912 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.783 HD21 HD22 ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.082 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 166.17 94.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -116.41 47.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.068 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.37 91.02 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.01 24.26 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.77 -164.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.964 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -133.33 48.07 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -59.59 -42.59 92.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.38 2.89 4.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.085 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 51' ' ' VAL . 16.1 t -149.29 31.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.852 0.326 . . . . 0.0 111.075 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 38.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.082 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.821 HG21 ' O ' ' A' ' 20' ' ' GLY . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.881 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 25' ' ' LEU . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 34' ' ' PHE . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.723 ' O ' HD11 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 87' ' ' ARG . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB2' HD23 ' A' ' 89' ' ' LEU . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' VAL . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' ' 98' ' ' MET . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.881 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.49 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 103' ' ' LEU . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 108' ' ' LEU . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.881 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.412 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -57.86 -165.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -148.79 89.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' A' ' 118' ' ' ASN . 28.8 t -74.01 156.63 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.46 ' N ' HG12 ' A' ' 114' ' ' VAL . 75.6 m-85 -59.05 -49.01 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 pttp 178.24 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.28 -54.67 18.9 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.863 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.647 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.0 t-20 -98.41 90.1 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.454 ' ND2' ' OE1' ' A' ' 122' ' ' GLU . 8.6 m120 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.658 ' O ' HD12 ' A' ' 125' ' ' LEU . 1.1 m80 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.454 ' OE1' ' ND2' ' A' ' 119' ' ' ASN . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.519 ' HB1' ' CE ' ' A' ' 134' ' ' LYS . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.519 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 107' ' ' GLY . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t -112.41 23.54 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 176.52 39.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -101.99 166.51 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . 0.428 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 2.6 m120 -109.12 -28.8 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . 68.73 -68.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -96.3 74.35 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -103.68 -170.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -132.12 77.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.928 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.86 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -138.71 175.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.45 -46.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 5' ' ' LYS . 1.2 m -97.75 170.3 9.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 4' ' ' THR . 7.5 mttm 60.87 88.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -147.89 -47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.648 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.2 pp -141.51 83.12 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.0 t-80 -98.37 139.3 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -112.1 154.83 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.803 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.682 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.838 ' O ' HG21 ' A' ' 62' ' ' THR . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 18' ' ' ILE . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 37' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.772 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 71.76 65.53 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -98.54 38.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -77.19 93.7 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 23.75 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.78 -25.58 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.67 62.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -78.77 -45.27 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 121.46 17.52 3.93 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 51' ' ' VAL . 19.2 t -152.12 30.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -24.54 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.77 42.84 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 50' ' ' GLY . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.772 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.838 HG21 ' O ' ' A' ' 20' ' ' GLY . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG22 ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.878 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.732 HD13 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.827 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 34' ' ' PHE . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 36' ' ' LEU . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.435 HD13 HG12 ' A' ' 74' ' ' VAL . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.878 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 103' ' ' LEU . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 100' ' ' ASN . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.571 ' O ' HG13 ' A' ' 111' ' ' VAL . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -74.91 162.49 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.677 HG12 HD21 ' A' ' 38' ' ' LEU . 14.3 p -68.12 159.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' N ' HG22 ' A' ' 114' ' ' VAL . 20.6 m-85 -55.77 -57.98 9.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.82 149.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.89 -30.71 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.636 ' ND2' HG21 ' A' ' 114' ' ' VAL . 5.1 m-80 -101.94 38.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.796 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.1 m-70 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 107' ' ' GLY . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.402 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p -107.94 30.47 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.06 29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -127.8 124.81 38.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.51 110.13 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -107.51 74.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -177.19 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -134.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 164.3 42.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.6 p -106.3 143.13 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -99.71 36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -102.26 127.58 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 7' ' ' LEU . 15.1 mttp -93.13 -43.62 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 72.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 5' ' ' LYS . 3.1 mp -125.13 32.54 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -99.8 120.06 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -106.5 159.04 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.911 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.661 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.797 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.869 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.797 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.911 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 100' ' ' ASN . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 114' ' ' VAL . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.938 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 65.23 136.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -157.09 -43.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.367 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 44' ' ' THR . 5.0 t -48.78 92.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.82 35.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -141.88 89.56 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m 60.0 67.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' CB ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -112.46 -35.18 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.199 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 71.45 -62.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.475 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.88 35.07 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.58 -36.02 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.39 -37.84 0.73 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 111.036 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 26.84 0.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.184 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.766 ' HG2' HD21 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.938 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 20' ' ' GLY . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 62' ' ' THR . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.894 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.631 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA2' ' HA3' ' A' ' 117' ' ' GLY . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 89' ' ' LEU . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD13 HG12 ' A' ' 74' ' ' VAL . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 72' ' ' ILE . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' HD12 ' A' ' 103' ' ' LEU . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.595 ' HB3' HD22 ' A' ' 36' ' ' LEU . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' ALA . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.766 HD21 ' HG2' ' A' ' 57' ' ' GLU . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.05 174.06 9.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 113' ' ' TYR . 4.0 m-85 -116.38 110.12 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.777 HG21 ' HB2' ' A' ' 118' ' ' ASN . 13.6 p -92.45 16.14 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 69.93 -66.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 169.42 147.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA3' ' HA2' ' A' ' 79' ' ' GLY . . . 113.03 -27.96 9.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.165 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.777 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.4 m120 -111.66 28.66 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 64.7 m-20 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p -126.98 28.58 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -161.74 30.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.98 172.05 3.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -159.58 144.5 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -88.63 148.33 24.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 60.73 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 m -82.27 93.51 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.88 138.36 3.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.91 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.807 0.337 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 p -71.79 150.53 44.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.65 168.58 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -161.67 155.13 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -92.99 118.59 31.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' C ' HD22 ' A' ' 7' ' ' LEU . 4.7 mtpm? -89.99 115.91 27.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 6' ' ' LYS . 4.4 mm? -115.11 106.92 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -123.02 155.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -73.12 159.05 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.97 HD12 HG22 ' A' ' 22' ' ' THR . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.97 HG22 HD12 ' A' ' 18' ' ' ILE . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.914 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.425 HG21 ' NE ' ' A' ' 87' ' ' ARG . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.691 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.947 HD22 HG21 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD11 ' O ' ' A' ' 118' ' ' ASN . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 HD22 ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.832 HG22 ' HB1' ' A' ' 58' ' ' ALA . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 174.26 159.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.43 33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -77.88 77.45 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.781 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 58.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER 65.31 94.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -171.38 72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 47' ' ' THR . 38.3 tttt 79.56 -32.4 0.14 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.148 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.38 -33.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.56 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.19 12.19 6.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.673 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.591 HG12 ' O ' ' A' ' 51' ' ' VAL . 22.0 t -130.73 3.42 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -20.51 55.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.16 41.44 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.832 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 103' ' ' LEU . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.651 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.724 ' HB ' HD22 ' A' ' 14' ' ' LEU . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.78 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.788 HG22 ' HB2' ' A' ' 11' ' ' ALA . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.662 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.8 ' HB3' HD11 ' A' ' 89' ' ' LEU . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.596 HD13 HG12 ' A' ' 74' ' ' VAL . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.626 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.405 ' CB ' ' HG3' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' C ' HD21 ' A' ' 100' ' ' ASN . 0.5 OUTLIER -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.842 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 129' ' ' GLU . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.55 178.74 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.05 94.55 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.581 HG12 HD21 ' A' ' 38' ' ' LEU . 13.4 p -76.31 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 114' ' ' VAL . 83.4 m-85 -61.18 -57.51 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.61 157.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.64 -30.82 8.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.68 ' O ' HD11 ' A' ' 38' ' ' LEU . 10.5 t-20 -97.24 89.57 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.413 ' O ' HD13 ' A' ' 125' ' ' LEU . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 123' ' ' GLN . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 38' ' ' LEU . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.677 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m -124.92 30.36 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 30.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.33 157.22 46.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 60.32 31.49 20.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -121.73 -42.86 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.78 78.36 1.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.9 t -140.49 167.06 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -172.43 24.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.9 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -102.29 163.31 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -156.59 121.08 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 t -63.58 179.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 88.33 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 97.82 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 87.05 2.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -113.24 115.09 27.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.51 159.14 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.822 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD21 ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.809 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.718 HG23 ' NE ' ' A' ' 35' ' ' ARG . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.724 ' CG2' HD21 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.806 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.832 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 22' ' ' THR . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 89' ' ' LEU . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.889 HG22 ' HB1' ' A' ' 58' ' ' ALA . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 77.45 146.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -164.65 37.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.3 p -58.7 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 23.47 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -132.79 -37.64 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 74.91 51.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.971 0.415 . . . . 0.0 110.796 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -72.11 -40.47 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER 179.76 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.13 20.23 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.975 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 51' ' ' VAL . 19.1 t -141.61 31.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.15 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -79.18 -21.62 46.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.31 35.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.769 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CG ' HD22 ' A' ' 108' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.702 ' O ' HG13 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 62' ' ' THR . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 66' ' ' VAL . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 25' ' ' LEU . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 11' ' ' ALA . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.548 ' HG2' HD12 ' A' ' 89' ' ' LEU . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.611 ' HB2' HD11 ' A' ' 89' ' ' LEU . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 83' ' ' ASP . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 74' ' ' VAL . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.412 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 HD12 ' A' ' 103' ' ' LEU . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.635 ' O ' HG23 ' A' ' 104' ' ' VAL . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.447 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.62 HD11 ' OG1' ' A' ' 62' ' ' THR . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 109' ' ' ALA . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG23 HD23 ' A' ' 125' ' ' LEU . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -70.33 -165.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -132.0 92.79 3.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' H ' HD21 ' A' ' 38' ' ' LEU . 29.5 t -110.29 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -97.95 31.2 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -100.39 -28.75 12.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.18 -26.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.492 ' OD1' HD13 ' A' ' 37' ' ' LEU . 26.3 t30 -66.86 81.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.526 ' O ' HD13 ' A' ' 125' ' ' LEU . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 111' ' ' VAL . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 106' ' ' GLN . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.826 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.42 30.16 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -171.34 34.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -110.83 96.33 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.81 -39.55 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.88 178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.72 100.04 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -63.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.84 -169.86 18.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 -176.87 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -123.67 -69.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.03 -65.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 171.79 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -113.07 150.63 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -124.22 81.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -109.37 167.97 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER -67.64 151.6 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.768 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.762 HD12 HG22 ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.875 ' O ' HG21 ' A' ' 62' ' ' THR . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.762 HG22 HD12 ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.768 HG12 ' CB ' ' A' ' 17' ' ' ALA . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.897 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 18' ' ' ILE . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.723 HD22 ' OD1' ' A' ' 118' ' ' ASN . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 125' ' ' LEU . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.933 HG22 ' HB1' ' A' ' 58' ' ' ALA . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 70.49 162.11 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -168.6 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.57 84.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.58 31.48 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.736 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -151.36 -40.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.031 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.91 69.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -96.6 -44.28 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -177.67 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' LYS . . . 116.5 26.91 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.585 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 14.9 t -148.35 23.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 111.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.45 -23.49 61.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -162.4 37.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HG22 ' A' ' 139' ' ' ILE . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.933 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.875 HG21 ' O ' ' A' ' 20' ' ' GLY . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 14' ' ' LEU . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.723 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 72' ' ' ILE . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.735 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.717 ' CG1' HD13 ' A' ' 25' ' ' LEU . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 118' ' ' ASN . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.497 ' HG2' HD12 ' A' ' 89' ' ' LEU . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.402 ' HE1' HD22 ' A' ' 118' ' ' ASN . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.723 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.445 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG12 HD12 ' A' ' 103' ' ' LEU . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 104' ' ' VAL . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 99' ' ' VAL . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 100' ' ' ASN . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.623 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.36 -165.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -146.96 104.82 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.068 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.817 HG12 ' HG2' ' A' ' 116' ' ' LYS . 11.7 t -88.46 -64.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 62.57 88.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.817 ' HG2' HG12 ' A' ' 114' ' ' VAL . 0.0 OUTLIER 173.61 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.773 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -171.15 -39.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.723 ' OD1' HD22 ' A' ' 37' ' ' LEU . 11.7 t-20 -79.01 84.13 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 124' ' ' LEU . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 121' ' ' HIS . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.657 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.657 HD12 ' CB ' ' A' ' 132' ' ' ALA . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 107' ' ' GLY . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.421 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p -93.46 23.28 4.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 142' ' ' GLU . 1.4 tt0 -169.58 51.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.298 0.57 . . . . 0.0 110.207 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.82 -56.37 2.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.06 162.32 29.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.25 90.7 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.03 165.08 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 p -85.84 154.69 21.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -151.12 -63.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -78.59 128.98 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -109.35 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 p -120.85 -48.5 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -122.05 77.79 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 71.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 75' ' ' GLU . 0.2 OUTLIER 59.99 92.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.28 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER -79.64 151.79 30.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.647 ' O ' HG21 ' A' ' 62' ' ' THR . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.852 HG12 ' HB1' ' A' ' 17' ' ' ALA . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.723 HD21 ' CB ' ' A' ' 118' ' ' ASN . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 125' ' ' LEU . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' CG1' ' HB1' ' A' ' 109' ' ' ALA . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.907 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.96 138.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -175.91 37.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' HA3' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -94.44 83.6 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 24.56 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.69 -28.14 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.05 38.49 3.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.88 -49.0 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.38 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.78 11.1 2.17 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.221 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 51' ' ' VAL . 9.2 t -144.91 31.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.055 0.427 . . . . 0.0 111.067 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.77 -31.44 70.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.93 31.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 44' ' ' THR . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 108' ' ' LEU . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.647 HG21 ' O ' ' A' ' 20' ' ' GLY . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 14' ' ' LEU . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 11' ' ' ALA . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.531 ' HG2' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.795 ' HB3' HD11 ' A' ' 89' ' ' LEU . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.811 ' O ' HG22 ' A' ' 82' ' ' THR . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 72' ' ' ILE . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.644 ' CD1' HG12 ' A' ' 99' ' ' VAL . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 111' ' ' VAL . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -74.44 -167.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 113' ' ' TYR . 1.8 p90 -140.65 86.91 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.805 HG11 ' O ' ' A' ' 118' ' ' ASN . 10.0 p -65.92 160.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.035 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 114' ' ' VAL . 5.3 t80 -49.22 -54.92 14.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 pttt 171.55 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -54.92 -60.39 8.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.859 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.805 ' O ' HG11 ' A' ' 114' ' ' VAL . 21.4 m-20 -75.89 82.27 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 124' ' ' LEU . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 132' ' ' ALA . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m -123.52 30.1 6.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 32.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -97.88 36.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.41 86.75 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.33 131.52 49.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -44.43 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -105.11 153.68 21.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.98 -56.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.877 0.37 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 m -124.87 -68.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.74 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -144.48 -51.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 164.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 87.07 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 tp -158.15 37.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -97.86 104.01 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -81.03 159.13 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 26' ' ' MET . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.71 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' HB1' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 92' ' ' ILE . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.915 HD13 ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.775 HD11 ' HA ' ' A' ' 119' ' ' ASN . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 37' ' ' LEU . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.035 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 65.66 -178.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.63 -42.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.38 62.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.155 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 42.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -164.09 -48.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.2 71.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -103.61 -50.24 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.355 179.427 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HD2' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER 31.12 37.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.365 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 110.86 41.28 1.21 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.428 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG23 ' N ' ' A' ' 55' ' ' GLY . 7.4 p 45.64 53.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.169 0.509 . . . . 0.0 111.453 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -71.8 -30.76 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 30.8 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HG23 ' A' ' 51' ' ' VAL . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.035 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.65 ' O ' HG13 ' A' ' 66' ' ' VAL . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.714 ' HB ' HD13 ' A' ' 14' ' ' LEU . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' H ' ' A' ' 14' ' ' LEU . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.857 HG12 HD13 ' A' ' 92' ' ' ILE . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 116' ' ' LYS . 0.9 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.653 ' HB3' HD11 ' A' ' 89' ' ' LEU . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.857 HD13 HG12 ' A' ' 74' ' ' VAL . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HE3' ' HE1' ' A' ' 65' ' ' MET . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.435 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.614 HG11 HG23 ' A' ' 62' ' ' THR . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.493 ' CB ' HG21 ' A' ' 39' ' ' VAL . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD11 ' OG1' ' A' ' 62' ' ' THR . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 100' ' ' ASN . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' CD ' ' A' ' 129' ' ' GLU . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.29 -167.44 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -128.62 129.91 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.702 HG11 ' HB3' ' A' ' 118' ' ' ASN . 11.9 p -95.14 0.24 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.566 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 74.16 -60.71 0.52 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.401 ' O ' ' NE2' ' A' ' 80' ' ' GLN . 0.0 OUTLIER -174.91 155.49 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.56 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.915 ' ND2' HD13 ' A' ' 37' ' ' LEU . 11.0 t-20 -101.74 -142.25 0.35 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.775 ' HA ' HD11 ' A' ' 38' ' ' LEU . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.777 ' O ' HD12 ' A' ' 125' ' ' LEU . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 125' ' ' LEU . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.526 ' CD ' HG23 ' A' ' 111' ' ' VAL . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 137' ' ' LEU . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -121.83 33.91 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 30.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.98 -77.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -177.29 160.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.58 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -105.21 133.79 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 -31.45 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -82.1 -66.23 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.789 0.328 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -132.21 -62.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -135.54 130.13 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.0 p -90.37 117.11 28.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -95.84 -179.83 4.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.05 -66.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -79.87 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -109.75 143.04 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -85.48 159.45 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.834 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.646 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.637 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.796 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.896 ' O ' HG21 ' A' ' 62' ' ' THR . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' HD12 ' A' ' 36' ' ' LEU . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.796 HG12 ' CB ' ' A' ' 17' ' ' ALA . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.783 ' CE2' HG21 ' A' ' 74' ' ' VAL . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' OD1' ' A' ' 21' ' ' ASP . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.694 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD11 ' O ' ' A' ' 118' ' ' ASN . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 37' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.936 HG22 ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 164.55 102.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -132.8 52.53 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -81.24 87.91 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 24.19 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.022 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -113.86 -25.46 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.42 38.5 2.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -79.24 -49.12 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.76 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -11.28 2.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.02 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 51' ' ' VAL . 12.0 t -130.39 26.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.907 0.354 . . . . 0.0 111.363 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HZ1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -125.66 32.39 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA3' ' HZ1' ' A' ' 53' ' ' LYS . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.936 ' CB ' HG22 ' A' ' 41' ' ' THR . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.896 HG21 ' O ' ' A' ' 20' ' ' GLY . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' THR . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.88 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HG2' HD12 ' A' ' 89' ' ' LEU . 9.9 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 87' ' ' ARG . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.645 HD13 HG12 ' A' ' 74' ' ' VAL . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.718 ' CD ' HD13 ' A' ' 124' ' ' LEU . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.851 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HB ' ' CZ ' ' A' ' 113' ' ' TYR . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -70.5 -27.81 64.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 111' ' ' VAL . 68.7 m-85 64.4 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 118' ' ' ASN . 16.9 t -111.8 113.43 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -101.78 30.25 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' H ' HG12 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -110.39 -31.05 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.56 0.27 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.556 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.3 t-20 -64.61 81.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 124' ' ' LEU . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.682 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.718 HD13 ' CD ' ' A' ' 101' ' ' GLU . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' OE1' HG21 ' A' ' 111' ' ' VAL . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.415 HD12 ' CB ' ' A' ' 132' ' ' ALA . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 107' ' ' GLY . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p -114.4 30.28 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.56 31.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -152.53 76.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -73.98 152.72 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.17 79.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.89 173.38 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.2 t -78.52 93.6 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 106.04 130.15 6.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.899 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.814 0.34 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -115.03 105.85 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -75.87 120.08 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p -125.6 53.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -24.04 59.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.657 HD11 ' HE3' ' A' ' 98' ' ' MET . 7.9 tt 64.45 103.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -123.0 114.88 21.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 159.17 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.856 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.795 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.746 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.732 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.856 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.742 HD22 HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' CD2' HD22 ' A' ' 89' ' ' LEU . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 118' ' ' ASN . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.803 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . 64.06 178.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -177.01 36.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.721 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.485 HG22 ' HD2' ' A' ' 48' ' ' LYS . 20.7 p -99.76 80.81 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 28.45 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -162.95 28.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m 64.74 72.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.708 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' HG22 ' A' ' 44' ' ' THR . 3.8 tttp -50.93 -58.08 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.153 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.27 58.44 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.476 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.849 HG12 ' O ' ' A' ' 51' ' ' VAL . 5.4 t 46.93 60.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.713 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -28.2 63.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.003 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.59 41.32 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HA ' HG13 ' A' ' 51' ' ' VAL . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' H ' HG22 ' A' ' 51' ' ' VAL . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.724 ' HD2' HD22 ' A' ' 108' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 20' ' ' GLY . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.599 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 62' ' ' THR . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 66' ' ' VAL . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.732 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 11' ' ' ALA . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 90' ' ' ALA . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 89' ' ' LEU . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 82' ' ' THR . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 83' ' ' ASP . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.742 HG12 HD22 ' A' ' 36' ' ' LEU . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' A' ' 7' ' ' LEU . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.657 ' HE3' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.657 HG12 ' CD1' ' A' ' 103' ' ' LEU . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 100' ' ' ASN . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' HD13 ' A' ' 137' ' ' LEU . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.798 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.798 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 111' ' ' VAL . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.04 166.06 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.91 89.08 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.677 HG12 HD21 ' A' ' 38' ' ' LEU . 10.6 p -69.13 -46.43 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.506 ' N ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER 52.43 56.22 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -141.9 -44.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.102 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.26 -29.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.824 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.795 ' O ' HD11 ' A' ' 38' ' ' LEU . 15.6 m120 -62.29 80.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.822 ' O ' HD12 ' A' ' 125' ' ' LEU . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 121' ' ' HIS . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 105' ' ' ARG . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 63.6 m-20 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLY . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m -98.42 36.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.27 27.34 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.99 150.15 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.54 116.91 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.84 -65.17 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.72 156.03 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.6 p -140.57 156.26 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.75 -153.64 9.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 60.5 35.2 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -73.1 -46.22 52.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -96.18 149.82 21.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -110.67 128.2 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.1 72.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -110.04 -25.69 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -72.91 167.95 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.22 158.96 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 74' ' ' VAL . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.839 ' O ' HD23 ' A' ' 25' ' ' LEU . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.593 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 63' ' ' LYS . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.51 HG22 ' OD1' ' A' ' 19' ' ' ASP . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' HG22 ' A' ' 18' ' ' ILE . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' HD3' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CE2' HG11 ' A' ' 74' ' ' VAL . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 118' ' ' ASN . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.041 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 172.59 110.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.79 31.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.86 79.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 23.59 7.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.095 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.76 -163.8 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.973 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.05 43.83 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.96 -57.71 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.869 ' HD2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -173.39 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.04 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.0 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.869 HG12 ' HD2' ' A' ' 49' ' ' LYS . 11.3 p -118.52 21.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.812 0.339 . . . . 0.0 111.388 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.38 -31.16 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -142.35 29.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 108' ' ' LEU . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.041 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 62' ' ' THR . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.925 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.817 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 34' ' ' PHE . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.737 ' O ' HD11 ' A' ' 89' ' ' LEU . 5.0 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.747 ' HB2' HD23 ' A' ' 89' ' ' LEU . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.875 ' O ' HD12 ' A' ' 89' ' ' LEU . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.427 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG22 HG21 ' A' ' 99' ' ' VAL . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.925 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 92' ' ' ILE . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 41' ' ' THR . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.695 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.842 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -62.69 -164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -150.12 78.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.65 HG23 HD23 ' A' ' 38' ' ' LEU . 42.4 t -71.77 157.8 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.992 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.477 ' N ' HG12 ' A' ' 114' ' ' VAL . 78.0 m-85 -63.48 -51.62 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.26 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.045 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.8 -55.63 17.1 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.863 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.848 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 m120 -91.69 86.97 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.71 ' HB3' HD12 ' A' ' 124' ' ' LEU . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 121' ' ' HIS . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 132' ' ' ALA . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 48.9 m-20 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.11 29.64 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.33 37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -95.03 128.79 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -176.62 164.71 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -75.94 -48.3 21.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.95 146.47 42.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.9 m -100.23 -37.37 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.53 -160.61 10.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.64 31.56 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.44 -55.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 108.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -69.79 -33.53 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 59.84 77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -151.86 26.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -123.1 150.45 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm -93.88 148.16 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.929 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.618 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.885 ' O ' HG21 ' A' ' 62' ' ' THR . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 HD13 ' A' ' 125' ' ' LEU . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.854 HG21 HD22 ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.798 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 69.4 164.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -174.95 53.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.702 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 ' HD3' ' A' ' 48' ' ' LYS . 71.4 p -63.91 99.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 28.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -167.35 -148.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 47' ' ' THR . 7.6 m -94.41 37.01 1.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.744 ' HD3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -75.41 -8.64 57.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.539 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 72.19 -58.87 0.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 110.912 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.79 22.63 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.781 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 51' ' ' VAL . 18.3 t -152.55 20.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.694 0.283 . . . . 0.0 111.429 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.07 -3.87 57.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.686 0.279 . . . . 0.0 111.153 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.08 31.18 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.798 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' HD21 ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.885 HG21 ' O ' ' A' ' 20' ' ' GLY . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' THR . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.886 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.627 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.929 HG22 ' HB2' ' A' ' 11' ' ' ALA . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 37' ' ' LEU . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 74' ' ' VAL . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 72' ' ' ILE . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.886 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.503 ' CE ' HD13 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.575 HG12 HD12 ' A' ' 103' ' ' LEU . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.707 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD12 HG12 ' A' ' 99' ' ' VAL . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.07 167.94 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.62 98.34 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 118' ' ' ASN . 13.1 p -70.43 159.33 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.488 ' N ' HG22 ' A' ' 114' ' ' VAL . 51.0 m-85 -59.87 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mttt 172.08 150.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.964 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.98 -29.14 13.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 37' ' ' LEU . 1.8 t-20 -107.97 92.9 4.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 125' ' ' LEU . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD13 ' CE ' ' A' ' 98' ' ' MET . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 70.7 m-20 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -120.85 37.65 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.86 30.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -98.01 36.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -175.74 128.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -131.83 -47.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -124.86 176.28 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.96 32.16 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.83 -98.03 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -143.87 129.35 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 60.64 38.33 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.93 37.68 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -125.63 148.35 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -169.44 162.08 10.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD22 ' CD ' ' A' ' 75' ' ' GLU . 2.0 mp -76.25 -175.89 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -115.65 120.63 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm -82.99 155.83 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.513 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 74' ' ' VAL . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.706 ' O ' HD23 ' A' ' 25' ' ' LEU . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 22' ' ' THR . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.848 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 35' ' ' ARG . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.789 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.781 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.881 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.3 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 74' ' ' VAL . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 22' ' ' THR . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.803 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD11 ' HA ' ' A' ' 119' ' ' ASN . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 1.047 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 69.1 139.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -177.14 50.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.587 HG22 ' OE2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -75.84 99.32 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 23.4 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -29.08 5.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.3 74.54 0.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -95.56 -51.62 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.85 29.83 1.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.697 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 51' ' ' VAL . 19.2 t -152.69 28.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE2' HG22 ' A' ' 44' ' ' THR . 0.1 OUTLIER -84.16 -14.97 48.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.93 37.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 20' ' ' GLY . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.654 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 14' ' ' LEU . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.825 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.781 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 34' ' ' PHE . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.648 ' CD ' HD22 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.701 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.598 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.67 ' O ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.863 ' O ' HD12 ' A' ' 89' ' ' LEU . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.44 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.576 ' CD1' HG12 ' A' ' 99' ' ' VAL . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.852 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 107' ' ' GLY . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.673 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -58.88 -165.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.52 96.61 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 118' ' ' ASN . 72.6 t -69.27 -84.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 39.7 t80 178.35 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.683 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -64.8 -69.93 1.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.66 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.822 ' HB2' HG21 ' A' ' 114' ' ' VAL . 52.7 m-20 -73.65 81.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . 0.601 ' HA ' HD11 ' A' ' 38' ' ' LEU . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.733 ' CB ' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 122' ' ' GLU . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 107' ' ' GLY . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.95 30.77 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.23 28.81 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.86 37.22 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.01 112.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.67 -169.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -77.79 131.08 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 147.69 50.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 61.1 -165.11 16.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 -179.71 7.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -75.61 171.32 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -107.8 -50.45 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.9 mttt -59.85 140.02 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 100.65 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.2 pt? -174.69 66.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -103.72 122.17 44.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -76.74 155.17 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.523 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.753 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.589 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.813 ' O ' HG21 ' A' ' 62' ' ' THR . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.597 HG23 ' HG2' ' A' ' 35' ' ' ARG . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.873 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 4.2 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 22' ' ' THR . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 89' ' ' LEU . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.749 HG12 ' HB1' ' A' ' 109' ' ' ALA . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.894 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 175.24 139.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.17 79.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.12 82.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.89 28.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -115.96 -36.72 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m 65.38 37.57 6.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -54.35 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -44.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.91 46.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.623 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -156.24 -76.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.82 0.343 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 80.8 -35.57 0.12 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER 163.54 39.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.894 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.813 HG21 ' O ' ' A' ' 20' ' ' GLY . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 62' ' ' THR . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.923 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' NZ ' HG21 ' A' ' 120' ' ' THR . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.833 ' O ' HD11 ' A' ' 89' ' ' LEU . 5.6 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 87' ' ' ARG . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.592 ' HB2' HD23 ' A' ' 89' ' ' LEU . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 82' ' ' THR . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 89' ' ' LEU . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HE2' HD21 ' A' ' 125' ' ' LEU . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 HG12 ' A' ' 74' ' ' VAL . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.923 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 103' ' ' LEU . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' HB3' HD22 ' A' ' 36' ' ' LEU . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.833 HD22 HG21 ' A' ' 41' ' ' THR . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.674 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.749 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.547 HG23 ' OE2' ' A' ' 129' ' ' GLU . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.59 -28.53 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 64.33 97.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 HD23 ' A' ' 38' ' ' LEU . 21.6 t -127.08 106.1 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -101.93 33.03 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -114.07 29.7 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.55 -45.05 1.37 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.616 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.26 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.448 HG21 ' NZ ' ' A' ' 78' ' ' LYS . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.771 ' HB3' HD21 ' A' ' 124' ' ' LEU . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.547 ' OE2' HG23 ' A' ' 111' ' ' VAL . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -111.6 31.13 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.1 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.06 176.68 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -128.15 128.65 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.41 -39.12 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 68.79 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 p -78.32 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 122.0 -54.27 0.69 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.835 0.35 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -122.52 95.72 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 60.33 172.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -91.37 159.74 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -75.15 -169.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -95.39 44.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HA ' HD12 ' A' ' 7' ' ' LEU . 6.5 tp -160.8 129.35 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -83.96 165.45 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -86.81 158.5 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.77 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.686 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.764 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.834 HD12 HG22 ' A' ' 22' ' ' THR . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 HD12 ' A' ' 18' ' ' ILE . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.764 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.536 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.789 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.796 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 125' ' ' LEU . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 37' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.974 HG22 ' HB1' ' A' ' 58' ' ' ALA . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -176.35 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.95 30.45 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.065 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.34 82.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 23.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 1.7 t-80 -120.93 -32.1 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.75 68.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 46' ' ' HIS . 21.1 mttt -121.06 -43.0 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.22 29.5 1.46 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.808 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.3 t -151.63 31.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.026 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -93.47 12.62 24.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.35 36.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.792 ' OG1' HD11 ' A' ' 103' ' ' LEU . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.584 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG22 HG12 ' A' ' 72' ' ' ILE . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.789 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' CG ' HD23 ' A' ' 7' ' ' LEU . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB3' HD11 ' A' ' 89' ' ' LEU . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 83' ' ' ASP . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 74' ' ' VAL . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HG23 ' A' ' 62' ' ' THR . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 104' ' ' VAL . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.792 HD11 ' OG1' ' A' ' 62' ' ' THR . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 100' ' ' ASN . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -60.26 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -134.72 85.6 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 118' ' ' ASN . 21.3 t -98.62 94.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -97.55 31.42 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -101.39 -29.26 12.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.11 -26.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.614 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.614 ' HB3' HG11 ' A' ' 114' ' ' VAL . 55.8 t30 -65.45 81.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.77 ' HB3' HD21 ' A' ' 124' ' ' LEU . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.52 ' CG ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 0.8 OUTLIER -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -106.88 29.25 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.38 37.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.0 157.28 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -152.03 -47.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.62 168.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.19 31.1 6.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.09 86.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.75 57.54 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.691 0.282 . . . . 2.0099999999999998 110.743 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.5499999999999998 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.87 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.03 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.04 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.5600000000000001 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.98999999999999999 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 2.7000000000000002 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.70999999999999996 110.918 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' THR . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.02 111.362 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.704 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.65000000000000002 112.832 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 18' ' ' ILE . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.68000000000000005 110.444 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.04 111.371 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.52 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.72999999999999998 111.337 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.04 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 1.5600000000000001 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 2.5699999999999998 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.23 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 1.5700000000000001 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 0.96999999999999997 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.77000000000000002 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.3600000000000001 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 2.54 110.84 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.87 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.855 HD13 ' CG ' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.3300000000000001 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.675 HD12 ' OH ' ' A' ' 91' ' ' TYR . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.88 111.467 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.60999999999999999 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.067 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.73999999999999999 111.031 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.6799999999999999 111.25 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 3.4700000000000002 110.885 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.8200000000000001 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.87 112.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.01 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.0099999999999998 111.04 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.067 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.67000000000000004 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.49 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.68000000000000005 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.598 ' HD2' HD23 ' A' ' 103' ' ' LEU . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 1.3500000000000001 111.115 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.704 HG21 ' O ' ' A' ' 20' ' ' GLY . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.57999999999999996 110.906 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.1800000000000002 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.54 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.635 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.0299999999999998 111.231 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 62' ' ' THR . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 1.5800000000000001 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.508 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 2.6000000000000001 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.3700000000000001 110.529 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.744 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.82999999999999996 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.9199999999999999 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.81999999999999995 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.58 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 1.3600000000000001 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.6099999999999999 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.1400000000000001 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.428 ' HG3' HD12 ' A' ' 89' ' ' LEU . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 1.9399999999999999 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.3500000000000001 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.819 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.21 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 2.6699999999999999 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.24 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.3999999999999999 110.821 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.65000000000000002 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 37' ' ' LEU . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.46 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.58999999999999997 111.102 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.675 ' OH ' HD12 ' A' ' 38' ' ' LEU . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.53 110.792 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.403 HD13 HG12 ' A' ' 74' ' ' VAL . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.60999999999999999 111.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 1.55 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.83999999999999997 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2000000000000002 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.05 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 2.5299999999999998 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.416 ' HE2' ' CD1' ' A' ' 124' ' ' LEU . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.3300000000000001 110.971 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.7 HG12 ' CD1' ' A' ' 103' ' ' LEU . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.62 110.968 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.6399999999999999 111.013 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.9199999999999999 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.71999999999999997 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 111.04 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 109' ' ' ALA . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.82999999999999996 111.059 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 3.6800000000000002 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.3700000000000001 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.847 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.81999999999999995 112.239 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 57' ' ' GLU . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 1.4099999999999999 111.112 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.81000000000000005 111.239 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 2.7799999999999998 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 1.49 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.855 ' CG ' HD13 ' A' ' 37' ' ' LEU . 1.6 t30 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.874 0.368 . . . . 2.6000000000000001 111.048 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 2.5600000000000001 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.5900000000000001 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 1.6200000000000001 111.356 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.2000000000000002 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 98' ' ' MET . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.0600000000000001 110.777 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.46 110.819 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 3.6899999999999999 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.3999999999999999 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.49 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.02 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.1599999999999999 111.1 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.74 110.921 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 3.73 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.4300000000000002 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 1.8799999999999999 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 132' ' ' ALA . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.3500000000000001 111.103 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.46 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.847 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.02 111.233 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.3200000000000001 111.056 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 1.8100000000000001 111.056 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.952 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.806 ' O ' HD23 ' A' ' 25' ' ' LEU . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.835 HD13 ' HB ' ' A' ' 66' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 23' ' ' VAL . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 41' ' ' THR . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.827 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.909 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.648 HG21 ' NH1' ' A' ' 87' ' ' ARG . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.773 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG12 ' HB1' ' A' ' 109' ' ' ALA . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.986 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.759 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.877 0.37 . . . . 0.0 110.804 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG2' HD11 ' A' ' 108' ' ' LEU . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.986 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 14' ' ' LEU . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 66' ' ' VAL . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.827 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.696 ' HB2' HD11 ' A' ' 89' ' ' LEU . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.672 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 83' ' ' ASP . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.512 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 100' ' ' ASN . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.631 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.631 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 125' ' ' LEU . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 37' ' ' LEU . 50.1 t30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.526 ' HB3' HG13 ' A' ' 111' ' ' VAL . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.695 0.283 . . . . 0.0 110.761 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.604 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.782 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.827 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.782 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.561 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.913 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 92' ' ' ILE . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.832 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 37' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.935 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.785 0.326 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.935 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.511 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.827 HG21 ' O ' ' A' ' 20' ' ' GLY . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.582 ' SD ' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 62' ' ' THR . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 66' ' ' VAL . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.898 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 14' ' ' LEU . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.685 ' OD1' HD11 ' A' ' 37' ' ' LEU . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' HD21 ' A' ' 89' ' ' LEU . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB2' HD23 ' A' ' 89' ' ' LEU . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.717 HD22 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 34' ' ' PHE . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' ILE . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' SD ' ' A' ' 65' ' ' MET . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.84 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.545 ' CD1' HG12 ' A' ' 99' ' ' VAL . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 100' ' ' ASN . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.436 ' O ' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.696 ' ND2' HD12 ' A' ' 38' ' ' LEU . 48.1 t30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.734 ' CG ' HD21 ' A' ' 124' ' ' LEU . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' A' ' 121' ' ' HIS . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 105' ' ' ARG . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.855 0.36 . . . . 0.0 110.79 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.772 HD11 ' HG3' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.677 ' O ' HG21 ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.621 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.422 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.773 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.91 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.8 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.887 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 89' ' ' LEU . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.829 ' HB3' HD13 ' A' ' 125' ' ' LEU . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG12 ' HB1' ' A' ' 109' ' ' ALA . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.97 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.876 0.37 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 66' ' ' VAL . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.572 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HB ' HD22 ' A' ' 14' ' ' LEU . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.621 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.773 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.71 ' HB2' HD11 ' A' ' 89' ' ' LEU . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 83' ' ' ASP . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 74' ' ' VAL . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.435 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 103' ' ' LEU . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 104' ' ' VAL . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.581 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.865 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.578 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.693 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.509 ' CD2' HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' ND2' ' A' ' 100' ' ' ASN . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 38' ' ' LEU . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 132' ' ' ALA . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 107' ' ' GLY . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.443 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.718 0.294 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 74' ' ' VAL . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.794 ' O ' HD23 ' A' ' 25' ' ' LEU . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.624 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.793 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.67 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.793 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.891 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' NH1' ' A' ' 87' ' ' ARG . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.775 ' CE2' HG11 ' A' ' 74' ' ' VAL . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.67 ' HG2' HG23 ' A' ' 22' ' ' THR . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 38' ' ' LEU . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.895 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.675 ' O ' HG13 ' A' ' 66' ' ' VAL . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.693 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 62' ' ' THR . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.457 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.793 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.775 HG11 ' CE2' ' A' ' 34' ' ' PHE . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.826 ' HB3' HD11 ' A' ' 89' ' ' LEU . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 125' ' ' LEU . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.404 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 103' ' ' LEU . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.503 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.863 HG23 ' HG3' ' A' ' 129' ' ' GLU . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.538 ' ND2' HD11 ' A' ' 37' ' ' LEU . 95.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.789 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.863 ' HG3' HG23 ' A' ' 111' ' ' VAL . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.695 ' HB1' ' HE3' ' A' ' 134' ' ' LYS . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.663 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.695 ' HE3' ' HB1' ' A' ' 130' ' ' ALA . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 108' ' ' LEU . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.504 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.62 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.771 ' O ' HD23 ' A' ' 25' ' ' LEU . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.592 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.791 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.565 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.791 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.84 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.918 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 74' ' ' VAL . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.517 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.104 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.104 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 65' ' ' MET . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.8 HG23 HG11 ' A' ' 99' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 62' ' ' THR . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.634 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.84 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 11' ' ' ALA . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 87' ' ' ARG . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB2' HD11 ' A' ' 89' ' ' LEU . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' THR . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 74' ' ' VAL . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.634 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.8 HG11 HG23 ' A' ' 62' ' ' THR . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.671 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' OG1' ' A' ' 62' ' ' THR . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' ' 57' ' ' GLU . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.509 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.446 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.5 m-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.704 ' O ' HD12 ' A' ' 125' ' ' LEU . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 107' ' ' GLY . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.699 0.285 . . . . 0.0 110.731 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.774 ' O ' HD23 ' A' ' 25' ' ' LEU . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.655 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.794 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.821 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.794 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.912 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.783 HD21 HD22 ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.082 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.844 0.354 . . . . 0.0 110.727 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.082 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.821 HG21 ' O ' ' A' ' 20' ' ' GLY . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.881 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 25' ' ' LEU . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 34' ' ' PHE . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.723 ' O ' HD11 ' A' ' 89' ' ' LEU . 1.8 pt20 -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 87' ' ' ARG . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB2' HD23 ' A' ' 89' ' ' LEU . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 89' ' ' LEU . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' VAL . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' ' 98' ' ' MET . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.881 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.49 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 103' ' ' LEU . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 108' ' ' LEU . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.881 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.412 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.544 ' CG ' HD13 ' A' ' 37' ' ' LEU . 7.0 t-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.658 ' O ' HD12 ' A' ' 125' ' ' LEU . 6.6 m170 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.519 ' HB1' ' CE ' ' A' ' 134' ' ' LYS . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.519 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 107' ' ' GLY . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.911 0.386 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.803 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.682 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.838 ' O ' HG21 ' A' ' 62' ' ' THR . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 18' ' ' ILE . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 37' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.772 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.894 0.378 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.772 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.838 HG21 ' O ' ' A' ' 20' ' ' GLY . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.803 HG22 ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.878 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.732 HD13 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.827 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 34' ' ' PHE . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 36' ' ' LEU . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.435 HD13 HG12 ' A' ' 74' ' ' VAL . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.878 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 103' ' ' LEU . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 100' ' ' ASN . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 111' ' ' VAL . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.525 ' O ' HD11 ' A' ' 38' ' ' LEU . 5.1 m-80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.585 HG22 ' CD2' ' A' ' 121' ' ' HIS . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.796 ' O ' HD12 ' A' ' 125' ' ' LEU . 44.2 m170 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 107' ' ' GLY . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.402 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.723 0.297 . . . . 0.0 110.748 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.911 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.661 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.797 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.869 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.797 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.911 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 100' ' ' ASN . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 38' ' ' LEU . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.938 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.919 0.39 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.766 ' HG2' HD21 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.938 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 20' ' ' GLY . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 62' ' ' THR . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.894 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.631 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 89' ' ' LEU . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.512 HD13 HG12 ' A' ' 74' ' ' VAL . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 72' ' ' ILE . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' HD12 ' A' ' 103' ' ' LEU . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.595 ' HB3' HD22 ' A' ' 36' ' ' LEU . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' ALA . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.766 HD21 ' HG2' ' A' ' 57' ' ' GLU . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.537 ' HB3' HD13 ' A' ' 37' ' ' LEU . 15.4 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 13.5 m120 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.97 HD12 HG22 ' A' ' 22' ' ' THR . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.97 HG22 HD12 ' A' ' 18' ' ' ILE . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.588 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.914 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.425 HG21 ' NE ' ' A' ' 87' ' ' ARG . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.691 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.947 HD22 HG21 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.68 HD11 ' O ' ' A' ' 118' ' ' ASN . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 HD22 ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.832 HG22 ' HB1' ' A' ' 58' ' ' ALA . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.832 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 103' ' ' LEU . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.651 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.724 ' HB ' HD22 ' A' ' 14' ' ' LEU . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.78 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.788 HG22 ' HB2' ' A' ' 11' ' ' ALA . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.662 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.8 ' HB3' HD11 ' A' ' 89' ' ' LEU . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.596 HD13 HG12 ' A' ' 74' ' ' VAL . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.626 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.405 ' CB ' ' HG3' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.45 HD21 HD21 ' A' ' 125' ' ' LEU . 57.3 t-20 -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.842 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 129' ' ' GLU . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.68 ' O ' HD11 ' A' ' 38' ' ' LEU . 10.5 t-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.413 ' O ' HD13 ' A' ' 125' ' ' LEU . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 123' ' ' GLN . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 38' ' ' LEU . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.677 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.862 0.363 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.822 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD21 ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.718 HG23 ' NE ' ' A' ' 35' ' ' ARG . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.724 ' CG2' HD21 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.806 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.832 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 22' ' ' THR . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 89' ' ' LEU . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.889 HG22 ' HB1' ' A' ' 58' ' ' ALA . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CG ' HD22 ' A' ' 108' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.702 ' O ' HG13 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 62' ' ' THR . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 66' ' ' VAL . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 25' ' ' LEU . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 11' ' ' ALA . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.548 ' HG2' HD12 ' A' ' 89' ' ' LEU . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.611 ' HB2' HD11 ' A' ' 89' ' ' LEU . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 83' ' ' ASP . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 74' ' ' VAL . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.412 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 HD12 ' A' ' 103' ' ' LEU . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.635 ' O ' HG23 ' A' ' 104' ' ' VAL . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.447 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.62 HD11 ' OG1' ' A' ' 62' ' ' THR . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 109' ' ' ALA . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 HG23 HD23 ' A' ' 125' ' ' LEU . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.492 ' OD1' HD13 ' A' ' 37' ' ' LEU . 26.3 t30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.526 ' O ' HD13 ' A' ' 125' ' ' LEU . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 111' ' ' VAL . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 106' ' ' GLN . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.826 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.794 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.768 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.762 HD12 HG22 ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.875 ' O ' HG21 ' A' ' 62' ' ' THR . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.762 HG22 HD12 ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.768 HG12 ' CB ' ' A' ' 17' ' ' ALA . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.735 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.897 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 18' ' ' ILE . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.873 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 125' ' ' LEU . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.933 HG22 ' HB1' ' A' ' 58' ' ' ALA . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.935 0.398 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HG22 ' A' ' 139' ' ' ILE . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.933 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.875 HG21 ' O ' ' A' ' 20' ' ' GLY . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 14' ' ' LEU . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.723 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 72' ' ' ILE . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.735 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.717 ' CG1' HD13 ' A' ' 25' ' ' LEU . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.498 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 118' ' ' ASN . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.497 ' HG2' HD12 ' A' ' 89' ' ' LEU . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.723 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.445 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.646 HG12 HD12 ' A' ' 103' ' ' LEU . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 104' ' ' VAL . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 99' ' ' VAL . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 100' ' ' ASN . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.623 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.873 ' ND2' HD22 ' A' ' 37' ' ' LEU . 42.2 t30 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 124' ' ' LEU . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 121' ' ' HIS . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.657 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.657 HD12 ' CB ' ' A' ' 132' ' ' ALA . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 107' ' ' GLY . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.421 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.759 0.314 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.647 ' O ' HG21 ' A' ' 62' ' ' THR . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.852 HG12 ' HB1' ' A' ' 17' ' ' ALA . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 9.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.723 HD21 ' CB ' ' A' ' 118' ' ' ASN . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 125' ' ' LEU . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.602 ' CG1' ' HB1' ' A' ' 109' ' ' ALA . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.907 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.852 0.358 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 108' ' ' LEU . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.647 HG21 ' O ' ' A' ' 20' ' ' GLY . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 14' ' ' LEU . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 11' ' ' ALA . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.795 ' HB3' HD11 ' A' ' 89' ' ' LEU . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.811 ' O ' HG22 ' A' ' 82' ' ' THR . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 72' ' ' ILE . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.479 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.644 ' CD1' HG12 ' A' ' 99' ' ' VAL . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.723 ' CB ' HD21 ' A' ' 37' ' ' LEU . 21.4 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 124' ' ' LEU . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 132' ' ' ALA . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.721 0.296 . . . . 0.0 110.813 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 26' ' ' MET . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.71 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' HB1' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 92' ' ' ILE . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.915 HD13 ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.775 HD11 ' HA ' ' A' ' 119' ' ' ASN . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 37' ' ' LEU . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.035 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.876 0.369 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.432 ' HA2' ' HB1' ' A' ' 42' ' ' ALA . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.035 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.65 ' O ' HG13 ' A' ' 66' ' ' VAL . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.714 ' HB ' HD13 ' A' ' 14' ' ' LEU . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' H ' ' A' ' 14' ' ' LEU . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.857 HG12 HD13 ' A' ' 92' ' ' ILE . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.653 ' HB3' HD11 ' A' ' 89' ' ' LEU . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.857 HD13 HG12 ' A' ' 74' ' ' VAL . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HE3' ' HE1' ' A' ' 65' ' ' MET . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.435 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.614 HG11 HG23 ' A' ' 62' ' ' THR . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.493 ' CB ' HG21 ' A' ' 39' ' ' VAL . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.503 HD11 ' OG1' ' A' ' 62' ' ' THR . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 100' ' ' ASN . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' CD ' ' A' ' 129' ' ' GLU . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.915 ' ND2' HD13 ' A' ' 37' ' ' LEU . 11.0 t-20 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.775 ' HA ' HD11 ' A' ' 38' ' ' LEU . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.777 ' O ' HD12 ' A' ' 125' ' ' LEU . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 125' ' ' LEU . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.526 ' CD ' HG23 ' A' ' 111' ' ' VAL . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 137' ' ' LEU . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 110.834 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.646 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.637 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.796 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.896 ' O ' HG21 ' A' ' 62' ' ' THR . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' HD12 ' A' ' 36' ' ' LEU . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.796 HG12 ' CB ' ' A' ' 17' ' ' ALA . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.783 ' CE2' HG21 ' A' ' 74' ' ' VAL . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' OD1' ' A' ' 21' ' ' ASP . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.694 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.731 HD11 ' O ' ' A' ' 118' ' ' ASN . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 37' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.936 HG22 ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.936 ' CB ' HG22 ' A' ' 41' ' ' THR . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.896 HG21 ' O ' ' A' ' 20' ' ' GLY . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' THR . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.88 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.7 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 87' ' ' ARG . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.645 HD13 HG12 ' A' ' 74' ' ' VAL . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.718 ' CD ' HD13 ' A' ' 124' ' ' LEU . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.851 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.408 HG21 ' OE1' ' A' ' 129' ' ' GLU . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.3 t-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 124' ' ' LEU . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.682 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.718 HD13 ' CD ' ' A' ' 101' ' ' GLU . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.408 ' OE1' HG21 ' A' ' 111' ' ' VAL . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.415 HD12 ' CB ' ' A' ' 132' ' ' ALA . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 107' ' ' GLY . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.671 0.272 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.856 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.795 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.746 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.732 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.856 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.742 HD22 HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' CD2' HD22 ' A' ' 89' ' ' LEU . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 118' ' ' ASN . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.803 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.724 ' HD2' HD22 ' A' ' 108' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 20' ' ' GLY . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.599 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 62' ' ' THR . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 66' ' ' VAL . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.732 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 11' ' ' ALA . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 90' ' ' ALA . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 89' ' ' LEU . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 82' ' ' THR . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 83' ' ' ASP . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.742 HG12 HD22 ' A' ' 36' ' ' LEU . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 98' ' ' MET . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.657 HG12 ' CD1' ' A' ' 103' ' ' LEU . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 100' ' ' ASN . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' HD13 ' A' ' 137' ' ' LEU . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.798 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.798 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.795 ' O ' HD11 ' A' ' 38' ' ' LEU . 15.6 m120 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.822 ' O ' HD12 ' A' ' 125' ' ' LEU . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 121' ' ' HIS . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 105' ' ' ARG . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 13.9 m120 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLY . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.697 0.284 . . . . 0.0 110.693 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 74' ' ' VAL . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.839 ' O ' HD23 ' A' ' 25' ' ' LEU . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.593 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 63' ' ' LYS . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.51 HG22 ' OD1' ' A' ' 19' ' ' ASP . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' HG22 ' A' ' 18' ' ' ILE . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' HD3' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CE2' HG11 ' A' ' 74' ' ' VAL . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 118' ' ' ASN . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.842 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.041 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 108' ' ' LEU . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.041 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.55 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 62' ' ' THR . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.925 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.817 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 34' ' ' PHE . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.737 ' O ' HD11 ' A' ' 89' ' ' LEU . 4.8 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.747 ' HB2' HD23 ' A' ' 89' ' ' LEU . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.427 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG22 HG21 ' A' ' 99' ' ' VAL . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.925 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 92' ' ' ILE . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 41' ' ' THR . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.695 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.842 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.848 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 m120 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.71 ' HB3' HD12 ' A' ' 124' ' ' LEU . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 121' ' ' HIS . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.405 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.401 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 132' ' ' ALA . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 9.8 m120 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.718 0.294 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.929 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.618 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.885 ' O ' HG21 ' A' ' 62' ' ' THR . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 HD13 ' A' ' 125' ' ' LEU . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.854 HG21 HD22 ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.798 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.798 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' HD21 ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.885 HG21 ' O ' ' A' ' 20' ' ' GLY . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' THR . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.886 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.627 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.929 HG22 ' HB2' ' A' ' 11' ' ' ALA . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 37' ' ' LEU . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 74' ' ' VAL . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 72' ' ' ILE . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.886 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.503 ' CE ' HD13 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.575 HG12 HD12 ' A' ' 103' ' ' LEU . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.707 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.575 HD12 HG12 ' A' ' 99' ' ' VAL . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 37' ' ' LEU . 1.8 t-20 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 125' ' ' LEU . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.503 HD13 ' CE ' ' A' ' 98' ' ' MET . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 17.9 m120 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.644 0.259 . . . . 0.0 110.513 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 74' ' ' VAL . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.706 ' O ' HD23 ' A' ' 25' ' ' LEU . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.789 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 22' ' ' THR . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.848 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 35' ' ' ARG . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.789 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.781 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.881 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.4 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 74' ' ' VAL . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 22' ' ' THR . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.803 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.601 HD11 ' HA ' ' A' ' 119' ' ' ASN . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 1.047 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.763 0.316 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 20' ' ' GLY . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.654 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 14' ' ' LEU . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.825 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.781 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 34' ' ' PHE . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.701 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.598 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.67 ' O ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.44 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.576 ' CD1' HG12 ' A' ' 99' ' ' VAL . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.852 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 107' ' ' GLY . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.673 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.74 ' HB3' HD21 ' A' ' 37' ' ' LEU . 52.7 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . 0.601 ' HA ' HD11 ' A' ' 38' ' ' LEU . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.733 ' CB ' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 122' ' ' GLU . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 107' ' ' GLY . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.642 0.258 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.753 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.589 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.813 ' O ' HG21 ' A' ' 62' ' ' THR . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.597 HG23 ' HG2' ' A' ' 35' ' ' ARG . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.873 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 17.9 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 22' ' ' THR . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 89' ' ' LEU . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.749 HG12 ' HB1' ' A' ' 109' ' ' ALA . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.894 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.699 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.894 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.813 HG21 ' O ' ' A' ' 20' ' ' GLY . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 62' ' ' THR . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.923 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.448 ' NZ ' HG21 ' A' ' 120' ' ' THR . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.833 ' O ' HD11 ' A' ' 89' ' ' LEU . 5.6 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 87' ' ' ARG . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.592 ' HB2' HD23 ' A' ' 89' ' ' LEU . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 82' ' ' THR . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 89' ' ' LEU . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HE2' HD21 ' A' ' 125' ' ' LEU . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 HG12 ' A' ' 74' ' ' VAL . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.923 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 103' ' ' LEU . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.49 ' HB3' HD22 ' A' ' 36' ' ' LEU . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.833 HD22 HG21 ' A' ' 41' ' ' THR . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.674 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.749 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.547 HG23 ' OE2' ' A' ' 129' ' ' GLU . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.448 HG21 ' NZ ' ' A' ' 78' ' ' LYS . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.771 ' HB3' HD21 ' A' ' 124' ' ' LEU . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.547 ' OE2' HG23 ' A' ' 111' ' ' VAL . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 CA--C 1.527 0.072 0 CA-C-O 120.835 0.35 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.77 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.686 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.764 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.834 HD12 HG22 ' A' ' 22' ' ' THR . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 HD12 ' A' ' 18' ' ' ILE . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.764 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.536 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.789 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.796 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.593 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 125' ' ' LEU . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 37' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.974 HG22 ' HB1' ' A' ' 58' ' ' ALA . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.792 ' OG1' HD11 ' A' ' 103' ' ' LEU . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.584 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.541 HG22 HG12 ' A' ' 72' ' ' ILE . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.789 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB3' HD11 ' A' ' 89' ' ' LEU . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 83' ' ' ASP . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 74' ' ' VAL . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HG23 ' A' ' 62' ' ' THR . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 104' ' ' VAL . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.792 HD11 ' OG1' ' A' ' 62' ' ' THR . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 100' ' ' ASN . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.546 HD22 HD22 ' A' ' 37' ' ' LEU . 55.8 t30 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.77 ' HB3' HD21 ' A' ' 124' ' ' LEU . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.52 ' CG ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 7.6 m-20 -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.772 0.32 . . . . 10.460000000000001 111.011 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 2' ' ' THR . 27.6 m 60.12 30.23 19.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 9.5600000000000005 110.876 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.68 -37.74 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 7.46 110.82 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.3 m -95.93 83.71 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 6.5099999999999998 110.844 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -20.5 66.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 7.3899999999999997 111.145 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.12 29.67 0.83 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.313 -0.403 . . . . 7.1299999999999999 111.363 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' LEU . 29.1 mt -101.46 32.77 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 4.7300000000000004 110.789 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -85.51 123.64 31.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 3.3599999999999999 111.008 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -67.04 159.38 28.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.0099999999999998 110.743 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 28.6 tt0 -177.24 133.24 0.18 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.327 -0.397 . . . . 2.5499999999999998 110.921 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.87 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -151.08 -87.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.219 -0.446 . . . . 1.24 110.899 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.24 -81.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.639 0.257 . . . . 1.03 111.194 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 84.4 m -148.77 147.5 28.88 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.925 0.393 . . . . 1.04 111.233 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.7 tm? -98.55 116.17 30.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 1.5600000000000001 110.646 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.5 mp -68.98 -51.7 41.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.98999999999999999 110.732 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.09 151.6 0.51 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 2.7000000000000002 111.066 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -92.27 145.6 24.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.70999999999999996 110.918 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.609 HD12 HG22 ' A' ' 22' ' ' THR . 29.7 mt -100.87 -56.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 2.02 111.362 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -141.34 54.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.81 0.338 . . . . 1.75 111.234 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.704 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.16 -64.41 0.53 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.86 -0.686 . . . . 0.65000000000000002 112.832 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 1.8 p30 -83.61 -33.11 25.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 1.77 110.567 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.609 HG22 HD12 ' A' ' 18' ' ' ILE . 3.8 m -94.75 105.84 17.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.072 -0.513 . . . . 0.68000000000000005 110.444 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.2 m -133.76 144.39 35.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.336 -0.393 . . . . 1.04 111.371 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.434 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.3 mtpt -86.88 106.11 17.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 1.52 110.206 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.744 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -108.13 136.24 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.72999999999999998 111.337 -179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.9 ttt -85.44 100.9 12.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.869 -0.605 . . . . 2.04 110.508 179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 30.8 t80 -108.02 141.69 39.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.038 -0.528 . . . . 1.5600000000000001 110.692 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.35 27.95 0.26 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.132 -0.485 . . . . 2.5699999999999998 111.992 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.25 17.63 55.12 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.715 -0.755 . . . . 1.23 113.62 179.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -137.2 133.1 34.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 117.17 0.485 . . . . 1.5700000000000001 111.237 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -83.65 98.42 9.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.041 -0.527 . . . . 0.96999999999999997 111.116 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.422 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 20.3 ptm -109.02 153.31 23.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.142 -0.481 . . . . 1.52 110.922 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.5 m -79.61 112.96 17.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.77000000000000002 110.868 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' HG21 ' A' ' 74' ' ' VAL . 17.0 m-85 -95.85 150.53 20.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.062 -0.517 . . . . 1.3600000000000001 110.923 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.5 OUTLIER -135.66 120.56 18.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 2.54 110.84 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.6 mt -55.9 115.59 2.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.27 -0.423 . . . . 0.87 110.803 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.855 HD13 ' CG ' ' A' ' 118' ' ' ASN . 4.9 mt -75.87 139.63 41.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 1.3300000000000001 111.461 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.675 HD12 ' OH ' ' A' ' 91' ' ' TYR . 16.3 mt 61.85 24.72 14.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.002 -0.545 . . . . 0.88 111.467 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.1 t -144.07 158.01 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.60999999999999999 111.087 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.79 108.44 6.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 1.46 110.511 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.067 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -104.57 88.44 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.73999999999999999 111.031 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 75.62 138.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 1.6799999999999999 111.25 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -144.98 41.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.918 -0.583 . . . . 3.9700000000000002 110.613 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -56.6 94.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 2.5499999999999998 111.136 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.96 23.38 3.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 5.3600000000000003 110.936 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -119.74 -22.74 6.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 5.8099999999999996 111.224 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.3 m 69.06 51.2 0.54 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.92 0.39 . . . . 3.8500000000000001 110.882 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -89.95 -48.45 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 5.9199999999999999 110.909 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.01 -37.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 4.4199999999999999 110.925 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.92 22.66 3.51 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.788 -0.72 . . . . 2.23 112.721 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 51' ' ' VAL . 17.5 t -151.61 30.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.826 0.346 . . . . 2.46 111.021 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -71.36 -26.48 62.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 3.0499999999999998 110.975 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.65 42.26 0.36 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 3.4700000000000002 110.885 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 63.0 m-85 60.38 38.48 19.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 1.8200000000000001 110.793 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.405 ' HA2' ' CB ' ' A' ' 42' ' ' ALA . . . -68.54 -44.19 73.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 0.87 112.588 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.48 -31.34 69.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.328 . . . . 1.01 111.14 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.632 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -77.92 -30.19 50.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 2.0099999999999998 111.04 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.067 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.15 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.67000000000000004 111.106 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.5 p -70.88 -36.61 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.028 -0.533 . . . . 1.49 111.048 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.23 -47.69 84.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.367 -0.378 . . . . 0.68000000000000005 111.339 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.598 ' HD2' HD23 ' A' ' 103' ' ' LEU . 3.1 t80 -63.98 -44.28 93.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.461 -0.336 . . . . 1.3500000000000001 111.115 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.704 HG21 ' O ' ' A' ' 20' ' ' GLY . 6.8 m -73.38 -32.64 64.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.304 -0.407 . . . . 0.57999999999999996 110.906 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -71.87 -43.76 64.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.973 -0.558 . . . . 2.1800000000000002 111.03 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.0 -33.33 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 3.54 111.253 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.635 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 ttt -71.15 -30.64 66.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 2.0299999999999998 111.231 -179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 62' ' ' THR . 32.5 m -86.07 -46.21 16.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 1.5800000000000001 111.547 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.508 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mt-10 -69.35 -23.26 63.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 2.75 111.179 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -95.28 -31.16 13.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.113 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -54.93 -41.54 71.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 1.97 111.404 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 5.8 mttt 84.67 -30.64 0.07 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.162 -0.472 . . . . 2.6000000000000001 111.318 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.9 ttmt -130.06 120.03 24.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.83 0.347 . . . . 2.3700000000000001 110.529 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.744 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.3 mp -120.94 136.56 57.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 0.82999999999999996 111.375 -179.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.404 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 59.0 mt-10 -127.1 136.97 52.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.857 -0.61 . . . . 1.9199999999999999 110.763 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.8 m -115.9 149.02 18.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.845 0.355 . . . . 0.81999999999999995 111.128 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.58 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 47.0 tt0 -128.67 115.88 18.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 2.25 110.895 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 26.3 m-85 -91.55 117.43 29.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 1.3600000000000001 110.747 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 -162.4 0.72 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.468 . . . . 2.6099999999999999 110.692 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -73.41 -21.13 60.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.51 -0.314 . . . . 3.1400000000000001 111.187 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -56.15 173.31 1.55 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.747 . . . . 1.48 112.603 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' HG3' HD12 ' A' ' 89' ' ' LEU . 6.1 pt20 -65.2 133.0 50.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 1.9399999999999999 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -70.59 -18.39 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 3.3500000000000001 111.183 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -141.5 112.17 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.362 -0.381 . . . . 1.05 110.819 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.53 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.2 t0 -76.4 62.09 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt 52.25 27.13 4.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 4.21 111.374 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 43.0 m-85 -138.63 15.52 2.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.335 -0.393 . . . . 2.6699999999999999 111.176 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.59 22.42 24.73 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.703 -0.761 . . . . 1.24 112.618 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.402 ' O ' HG22 ' A' ' 82' ' ' THR . 5.9 mtt-85 -90.08 -172.22 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 2.3999999999999999 110.821 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -118.34 78.42 0.3 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.65000000000000002 112.647 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.64 HD13 HD21 ' A' ' 37' ' ' LEU . 10.7 mt -58.8 122.08 12.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.736 0.303 . . . . 1.46 110.773 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 174.86 167.05 0.27 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 0.58999999999999997 111.102 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.675 ' OH ' HD12 ' A' ' 38' ' ' LEU . 88.3 m-85 -80.83 142.14 33.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 1.53 110.792 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.403 HD13 HG12 ' A' ' 74' ' ' VAL . 27.2 mm -102.32 136.37 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.60999999999999999 111.022 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.47 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 69.4 m-85 -131.76 131.26 42.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 1.55 110.826 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.06 127.64 55.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.83999999999999997 111.128 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 t70 41.41 42.12 1.76 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.159 -0.473 . . . . 2.2000000000000002 111.798 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.72 22.91 71.14 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.8 -0.714 . . . . 1.05 112.954 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -120.09 149.77 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 2.5299999999999998 110.802 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.416 ' HE2' ' CD1' ' A' ' 124' ' ' LEU . 3.8 mtt -84.77 113.49 21.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 1.3300000000000001 110.971 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.7 HG12 ' CD1' ' A' ' 103' ' ' LEU . 24.0 t -70.57 -46.87 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.62 110.968 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.525 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.7 p-10 -55.69 -49.99 71.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 1.6399999999999999 111.013 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -60.63 -48.12 83.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 2.9199999999999999 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.24 80.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.71999999999999997 111.177 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.7 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.6 mt -70.08 -53.43 17.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.265 -0.425 . . . . 0.69999999999999996 111.04 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 109' ' ' ALA . 23.2 t -67.03 -45.19 87.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.319 -0.4 . . . . 0.82999999999999996 111.059 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -60.52 -30.57 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 3.6800000000000002 110.698 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -88.63 -26.71 21.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 2.3700000000000001 110.803 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.847 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 99.75 46.38 1.95 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.737 . . . . 0.81999999999999995 112.239 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.632 HD11 ' HG2' ' A' ' 57' ' ' GLU . 3.5 mm? -120.93 -33.3 3.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.746 0.308 . . . . 1.4099999999999999 111.112 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -126.98 140.41 52.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.81000000000000005 111.239 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.74 -175.63 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 2.7799999999999998 110.773 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -93.37 117.69 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.372 -0.376 . . . . 1.49 111.433 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.528 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -67.71 -162.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.73 110.894 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -145.63 106.58 4.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.733 0.302 . . . . 5.0300000000000002 111.073 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.663 HG21 ' HB3' ' A' ' 118' ' ' ASN . 48.6 t -95.74 125.16 48.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 2.2799999999999998 110.907 179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -57.73 -43.03 85.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 5.0599999999999996 111.106 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -178.95 147.79 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 5.1299999999999999 111.001 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.01 -42.83 1.85 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 1.76 112.556 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.855 ' CG ' HD13 ' A' ' 37' ' ' LEU . 1.6 t30 -111.81 95.82 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.6000000000000001 111.048 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -156.32 34.55 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 2.5600000000000001 110.618 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.4 m -87.43 -48.5 7.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.5900000000000001 110.976 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 47.4 m80 -93.0 14.41 17.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.282 -0.417 . . . . 1.6200000000000001 111.356 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.07 -16.01 49.0 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.689 0.281 . . . . 2.46 111.402 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -74.86 -54.69 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.693 0.282 . . . . 3.2000000000000002 111.177 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 98' ' ' MET . 0.2 OUTLIER -70.32 -33.98 72.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.418 -0.355 . . . . 2.0600000000000001 110.777 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mt -62.0 -48.41 80.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 1.46 110.819 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -66.76 -32.05 73.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 3.6899999999999999 110.82 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -49.45 63.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 2.3999999999999999 110.811 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.9 t -60.83 -39.07 87.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 1.49 110.91 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -67.44 -45.5 75.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.72 110.831 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.32 -45.04 92.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 1.28 111.124 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -40.25 92.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 3.02 110.839 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.419 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.87 -29.51 61.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.1599999999999999 111.1 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -73.59 -51.12 17.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 1.74 110.921 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.54 -34.32 77.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.357 -0.383 . . . . 3.73 110.84 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -85.63 -25.32 26.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 2.4300000000000002 111.112 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt 61.6 69.27 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.931 0.396 . . . . 1.8799999999999999 110.728 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.419 HD12 ' CB ' ' A' ' 132' ' ' ALA . 14.0 mt -73.27 -78.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 1.3500000000000001 111.103 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.408 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 48.4 m-20 -131.24 -74.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.347 -0.388 . . . . 1.46 111.13 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.847 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -52.66 -39.64 31.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.379 -0.373 . . . . 1.02 111.233 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 17.2 m95 -96.05 21.18 9.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.3200000000000001 111.056 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.23 18.47 21.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.459 -0.337 . . . . 1.8100000000000001 111.056 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.92 27.85 0.22 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.333 -0.394 . . . . 2.8999999999999999 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.3 55.23 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 2.7999999999999998 110.765 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -56.87 105.12 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.095 -0.502 . . . . 3.9500000000000002 110.913 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.31 -31.19 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 4.7400000000000002 111.042 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.8 t70 58.35 68.61 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 6.8499999999999996 110.916 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.7 t -60.67 86.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 7.1600000000000001 110.886 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.27 126.52 2.56 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 8.4299999999999997 112.453 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.206 -0.902 . . . . 11.470000000000001 110.992 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.0 m 60.39 31.17 20.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -164.62 31.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.3 p -113.1 35.56 3.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.81 157.33 46.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -116.2 -171.22 1.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 HD11 HG21 ' A' ' 120' ' ' THR . 3.9 mt -89.92 110.42 21.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.9 t60 -119.94 130.56 54.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -70.57 152.4 43.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.447 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.4 tt0 -177.6 130.42 0.15 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.682 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.56 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.35 -92.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.26 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.27 -74.29 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.713 0.292 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.806 ' O ' HD23 ' A' ' 25' ' ' LEU . 30.5 m -155.65 151.15 27.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.835 HD13 ' HB ' ' A' ' 66' ' ' VAL . 3.3 tt -98.32 125.02 43.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.746 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 26' ' ' MET . 4.3 mp -74.12 -55.91 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.831 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.45 135.66 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.443 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -73.07 138.58 45.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.954 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.458 HD12 ' N ' ' A' ' 23' ' ' VAL . 3.7 mt -99.02 -50.61 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.538 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -156.86 48.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.717 0.294 . . . . 0.0 111.62 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.416 ' HA3' HG21 ' A' ' 41' ' ' THR . . . 69.4 -64.42 0.58 Allowed Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.979 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.611 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 33.5 p-10 -84.52 -8.5 58.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.749 0.309 . . . . 0.0 110.635 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' C ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -127.32 117.11 21.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.861 179.447 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG21 HD11 ' A' ' 14' ' ' LEU . 2.3 p -150.92 143.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.972 0.415 . . . . 0.0 111.521 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -87.02 112.03 21.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.397 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.827 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -114.43 132.86 56.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.13 -179.585 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.909 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.3 ttt -78.41 101.68 7.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.1 t80 -102.08 137.96 39.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.942 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.27 29.43 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.857 -0.61 . . . . 0.0 112.394 -179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.06 37.3 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.566 -0.826 . . . . 0.0 113.9 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.1 pt20 -139.65 132.55 29.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 117.352 0.576 . . . . 0.0 111.24 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.91 96.29 6.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.241 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.455 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 18.3 ptm -108.33 153.43 23.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.61 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.648 HG21 ' NH1' ' A' ' 87' ' ' ARG . 2.0 m -79.68 110.08 14.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' CE2' HG11 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.93 151.34 19.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.857 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -139.02 130.96 27.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.4 mt -62.19 127.45 31.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.773 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.1 mt -86.22 139.8 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.233 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 11.9 mt 59.62 27.22 16.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.547 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG12 ' HB1' ' A' ' 109' ' ' ALA . 5.1 t -137.69 155.66 31.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 111.14 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -135.33 108.88 7.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.804 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.986 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -113.22 88.77 2.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.779 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.759 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . 76.39 -71.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.167 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 47.61 29.28 1.42 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.857 0.361 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.87 HG22 ' OE2' ' A' ' 52' ' ' GLU . 11.5 p -59.41 89.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.82 22.74 15.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -119.42 -21.21 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.293 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.7 m 68.41 71.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.899 0.38 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -97.7 -50.46 4.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.03 -38.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.08 19.16 4.41 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.879 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' VAL . 17.7 t -151.79 30.62 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.91 0.386 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.87 ' OE2' HG22 ' A' ' 44' ' ' THR . 6.2 pt-20 -70.66 -27.48 64.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.95 45.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.804 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 62.15 59.07 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.759 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -91.9 -46.69 3.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.87 -35.09 75.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.874 0.369 . . . . 0.0 111.181 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.533 ' HG2' HD11 ' A' ' 108' ' ' LEU . 2.6 tt0 -80.51 -27.42 37.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.069 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.986 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.63 -46.51 88.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -36.08 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.694 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.23 -34.65 76.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.238 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 12.8 t80 -71.91 -47.45 52.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.998 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.683 ' O ' HG22 ' A' ' 66' ' ' VAL . 61.5 m -74.33 -45.72 45.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.986 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.71 -37.89 74.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.16 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.7 OUTLIER -76.03 -59.94 2.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.308 0.575 . . . . 0.0 110.814 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.465 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 17.6 ttm -51.58 -28.63 14.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.862 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.835 ' HB ' HD13 ' A' ' 14' ' ' LEU . 25.7 m -86.9 -45.98 16.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.679 0.276 . . . . 0.0 111.441 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' N ' HG23 ' A' ' 66' ' ' VAL . 32.7 mm-40 -65.9 -22.5 66.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -95.08 -34.16 12.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.015 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -57.34 -50.51 72.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 10.9 mmtt 86.14 -31.16 0.05 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.405 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.453 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.1 tttt -120.96 119.55 32.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.369 . . . . 0.0 110.634 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.827 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.46 142.0 40.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.437 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mm-40 -130.21 141.34 50.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.565 HG11 ' CE2' ' A' ' 34' ' ' PHE . 15.6 m -116.06 149.04 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.853 0.358 . . . . 0.0 111.181 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.475 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 20.0 tt0 -130.98 115.95 17.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 41.5 m-85 -94.58 132.38 39.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.963 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -97.26 178.11 5.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.81 -11.99 61.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.285 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -124.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.608 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -105.56 142.8 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.341 . . . . 0.0 111.01 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.4 ttm180 -94.66 -27.04 16.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.8 p -142.61 112.24 6.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.6 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.696 ' HB2' HD11 ' A' ' 89' ' ' LEU . 4.3 t0 -72.66 63.17 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 -179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 47.25 28.85 1.09 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.394 179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 21.1 m-85 -134.29 20.66 3.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.245 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.21 25.5 11.44 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.719 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.672 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -100.0 174.87 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.839 0.352 . . . . 0.0 110.857 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.68 82.39 0.32 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.666 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 83' ' ' ASP . 10.7 mt -59.26 122.85 14.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.692 0.282 . . . . 0.0 110.724 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.19 167.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.168 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 121' ' ' HIS . 86.2 m-85 -82.46 142.02 32.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.9 mm -99.91 133.9 41.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.05 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 79.5 m-85 -128.31 124.11 35.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -107.58 124.49 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 44.1 t0 40.78 44.26 1.85 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.908 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.56 20.02 75.08 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.869 -0.681 . . . . 0.0 113.132 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -121.76 140.02 52.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.765 0.317 . . . . 0.0 110.686 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 39.6 mtp -78.93 117.24 19.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.512 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.8 t -73.01 -41.92 59.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.07 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.814 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.4 p-10 -60.31 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -64.12 -43.58 94.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.69 -45.18 90.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.512 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.7 mt -67.54 -47.45 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 100' ' ' ASN . 29.1 t -65.97 -40.98 88.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -32.82 73.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.829 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -87.28 -28.02 22.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.869 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.631 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 102.93 57.59 0.77 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.473 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.631 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.3 mm? -129.44 -42.57 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.03 158.36 19.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.439 ' HE2' ' CH2' ' A' ' 140' ' ' TRP . 6.0 mmtm -105.55 -167.89 1.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG13 ' HB3' ' A' ' 125' ' ' LEU . 22.4 t -120.27 104.2 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.454 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -71.03 -178.84 2.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -131.55 103.72 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 37' ' ' LEU . 36.3 t -99.49 111.36 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -102.73 31.15 4.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' H ' HG12 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -105.32 -30.95 9.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.87 -27.54 0.3 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.773 ' ND2' HD22 ' A' ' 37' ' ' LEU . 50.1 t30 -71.55 82.14 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.964 0.411 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -137.38 39.21 2.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.416 HG21 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -94.26 -62.15 1.39 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.971 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -76.54 -6.08 50.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.41 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.91 -28.91 2.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.752 0.311 . . . . 0.0 111.222 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.73 -45.37 90.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.717 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.7 mt -70.0 -34.95 73.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.526 ' HB3' HG13 ' A' ' 111' ' ' VAL . 3.7 mm? -60.0 -39.05 84.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -73.82 -37.81 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -60.74 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 5.8 p -67.07 -38.41 85.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -66.23 -42.69 88.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -46.6 86.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -60.83 -38.2 84.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.87 -33.83 57.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.2 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.74 -51.26 60.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -69.56 -30.94 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.91 0.386 . . . . 0.0 110.631 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.46 -25.57 35.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm 57.42 50.2 11.72 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.85 0.357 . . . . 0.0 110.743 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.0 mt -57.65 -78.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.181 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -131.51 -77.09 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.039 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 15.6 pt -49.37 -39.65 13.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.42 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CH2' ' HE2' ' A' ' 110' ' ' LYS . 18.7 m95 -97.56 29.6 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.0 t -114.62 31.36 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.33 29.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -138.77 179.66 6.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -114.63 164.71 13.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.14 160.15 23.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.15 35.19 4.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 28.5 t -148.47 -170.55 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 99.14 -34.77 5.14 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -105.9 -177.86 3.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -138.63 35.6 2.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.4 p -120.2 161.57 20.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmtt -60.48 -69.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -168.73 152.0 5.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.2 mt -106.96 47.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -94.15 168.03 11.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.8 OUTLIER -115.51 156.19 26.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.761 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 74' ' ' VAL . 2.5 tt0 -177.89 127.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.899 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.59 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -148.03 -95.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -78.08 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 120.721 0.296 . . . . 0.0 111.151 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 26' ' ' MET . 60.1 m -152.04 144.23 23.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.604 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.13 118.62 35.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.761 179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.34 -59.15 3.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.772 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -177.08 149.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.169 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.782 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -84.66 147.31 27.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.051 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.7 mm -103.45 -55.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.358 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -142.76 55.24 1.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.273 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.827 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.4 -65.28 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.901 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 9.1 p-10 -83.37 -33.5 25.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 110.672 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.3 m -94.11 105.9 17.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.501 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.782 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.0 m -133.35 142.45 41.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.263 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.561 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.6 tttt -85.47 106.8 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.524 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.5 OUTLIER -112.55 128.32 56.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.002 -179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.913 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttm -76.04 95.67 3.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.628 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 t80 -100.31 143.94 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.716 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.51 27.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.979 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.96 19.05 56.92 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.69 -0.766 . . . . 0.0 113.581 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.5 pt20 -139.04 134.48 33.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 117.148 0.474 . . . . 0.0 111.195 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.93 110.0 13.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.179 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.45 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 5.8 ptp -127.56 153.13 46.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.748 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 m -79.94 111.99 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.601 ' HB3' HD11 ' A' ' 92' ' ' ILE . 16.6 m-85 -95.96 133.76 39.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.78 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.89 122.91 47.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.571 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 15.2 mt -56.86 108.93 0.56 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 110.45 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.6 mt -60.19 142.77 53.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.995 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.832 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 29.2 mt 47.74 27.62 1.12 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.999 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 37' ' ' LEU . 28.7 t -137.49 143.42 34.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.801 0.334 . . . . 0.0 111.023 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -122.49 108.78 13.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.65 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.935 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -111.01 88.25 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.713 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 74.66 139.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.327 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -164.97 32.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.51 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' HD2' ' A' ' 48' ' ' LYS . 56.2 p -101.11 21.6 13.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.295 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER 37.88 32.08 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.999 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 52.3 22.06 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.673 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.528 ' O ' HG22 ' A' ' 47' ' ' THR . 93.9 m -167.41 62.44 0.08 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.785 0.326 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.638 ' HD2' HG22 ' A' ' 44' ' ' THR . 9.0 ttmm -107.6 -44.58 4.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.18 -39.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.343 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.444 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 159.65 47.95 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.453 -0.879 . . . . 0.0 112.451 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 51' ' ' VAL . 8.5 p 44.9 52.97 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.163 0 CA-C-O 121.146 0.498 . . . . 0.0 111.671 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.85 -32.36 57.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.108 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 29.57 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.04 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 53.9 m-85 55.43 32.31 18.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.16 -58.25 15.55 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.644 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.555 ' H ' HG23 ' A' ' 51' ' ' VAL . . . -65.5 -37.27 86.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 0.0 111.017 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.4 -29.16 68.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.935 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.67 -46.9 88.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.001 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.7 m -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.99 84.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.219 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.511 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 11.6 t80 -66.86 -36.06 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.597 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.827 HG21 ' O ' ' A' ' 20' ' ' GLY . 83.0 m -74.37 -34.55 63.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.051 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.401 ' HA ' HG22 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.89 -45.24 64.68 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.439 -179.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -41.05 87.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.116 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.582 ' SD ' HG22 ' A' ' 99' ' ' VAL . 0.0 OUTLIER -69.44 -33.21 72.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.367 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.651 HG13 ' O ' ' A' ' 62' ' ' THR . 20.4 m -88.19 -46.6 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.767 0.318 . . . . 0.0 111.565 -179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' N ' HG23 ' A' ' 66' ' ' VAL . 6.3 mm-40 -62.6 -24.1 67.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.685 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.1 -33.8 12.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.753 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.898 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -71.57 85.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.149 0.5 . . . . 0.0 110.801 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -52.74 -25.09 10.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' CE ' ' CG ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -125.52 118.8 26.55 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.954 179.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.599 HD13 ' H ' ' A' ' 14' ' ' LEU . 2.1 mp -122.79 142.98 37.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.522 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' CG ' ' CE ' ' A' ' 71' ' ' LYS . 2.1 mt-10 -127.33 144.81 50.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.771 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 11' ' ' ALA . 17.9 m -121.31 149.11 24.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.387 . . . . 0.0 111.339 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.427 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -128.62 115.79 18.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.445 179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 14.0 m-85 -85.66 139.63 31.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.995 0.426 . . . . 0.0 111.156 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.685 ' OD1' HD11 ' A' ' 37' ' ' LEU . 9.9 p-10 -77.53 -163.01 0.35 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.755 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -123.73 16.41 9.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.142 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -109.07 -58.76 0.53 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.626 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' HG2' HD21 ' A' ' 89' ' ' LEU . 7.5 tp60 -137.5 140.2 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.931 0.396 . . . . 0.0 111.18 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 21.9 ttp85 -103.0 -24.4 13.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.02 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.5 p -145.43 103.28 3.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.735 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.425 ' HB2' HD23 ' A' ' 89' ' ' LEU . 31.4 t70 -42.53 -58.52 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.745 -179.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.68 -45.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.846 0.355 . . . . 0.0 111.089 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -58.52 -20.66 47.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.14 22.61 11.57 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.174 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.9 -179.07 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.678 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.24 72.86 0.21 Allowed Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.12 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.717 HD22 HD21 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -57.28 132.61 53.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.984 0.421 . . . . 0.0 110.606 -179.698 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.73 167.8 1.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.781 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 121' ' ' HIS . 5.3 m-85 -79.44 132.85 36.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.792 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.601 HD11 ' HB3' ' A' ' 34' ' ' PHE . 14.4 mm -99.85 142.73 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.511 ' O ' HG23 ' A' ' 72' ' ' ILE . 73.5 m-85 -132.04 125.49 31.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -105.82 124.8 50.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.004 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 40.8 43.19 1.63 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.731 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.06 20.74 72.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.81 -0.709 . . . . 0.0 113.057 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.9 tppt? -121.74 140.96 51.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.756 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.509 ' HE2' ' CE2' ' A' ' 93' ' ' TYR . 12.5 mtp -80.19 117.51 21.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.05 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG22 ' SD ' ' A' ' 65' ' ' MET . 16.3 t -73.17 -49.11 40.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.231 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.84 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.9 p30 -56.0 -49.89 72.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.09 -46.54 88.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.511 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.59 -42.69 83.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.165 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.545 ' CD1' HG12 ' A' ' 99' ' ' VAL . 5.4 mt -69.73 -48.21 60.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.84 HG23 ' O ' ' A' ' 100' ' ' ASN . 30.2 t -64.14 -47.93 87.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.374 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.436 ' O ' HD13 ' A' ' 137' ' ' LEU . 0.2 OUTLIER -62.7 -28.96 70.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.995 -179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -89.71 -27.55 20.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.688 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.36 54.76 0.93 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.244 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.734 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.4 mm? -128.6 -38.1 1.74 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 0.0 111.197 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -112.8 144.87 41.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.915 0.388 . . . . 0.0 111.159 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -97.17 -162.01 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.8 t -121.38 112.78 36.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.867 0.365 . . . . 0.0 111.102 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.832 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -56.95 -167.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -128.23 46.85 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.795 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.65 89.58 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -102.29 41.55 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.753 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -36.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.789 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 118' ' ' ASN . . . -86.56 8.65 74.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.974 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.696 ' ND2' HD12 ' A' ' 38' ' ' LEU . 48.1 t30 176.49 132.63 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.824 0.345 . . . . 0.0 110.696 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -163.16 41.75 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.784 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.3 m -105.11 -37.71 6.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.734 ' CG ' HD21 ' A' ' 124' ' ' LEU . 1.9 m-70 -113.66 19.77 16.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.314 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -59.8 -17.95 39.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.289 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -80.05 -51.07 9.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.417 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.734 HD21 ' CG ' ' A' ' 121' ' ' HIS . 3.7 pp -70.0 -33.94 72.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 0.0 111.016 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mt -68.95 -52.1 32.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -28.97 69.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.04 -50.98 19.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.1 t -59.03 -42.86 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.4 tt0 -62.38 -46.9 86.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.755 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.67 -48.71 66.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -62.49 -47.13 85.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.055 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.11 -38.55 88.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.12 -33.72 59.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -29.41 47.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.716 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -98.62 -20.37 17.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.293 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt 61.96 69.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.87 0.367 . . . . 0.0 110.684 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.436 HD13 ' O ' ' A' ' 105' ' ' ARG . 39.2 mt -74.18 -76.66 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.189 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.405 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 11.5 m-20 -130.52 -79.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.131 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 12.3 pt -49.98 -40.69 16.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 17.1 m95 -95.12 42.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -127.07 30.78 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.83 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -162.32 32.22 0.11 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -88.81 -52.91 4.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.955 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -89.46 108.64 19.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -157.65 -46.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.026 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -147.99 161.44 41.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 58.5 p -67.16 162.39 22.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.955 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -120.43 -169.02 13.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.893 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -103.57 31.38 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.23 -67.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -130.81 177.67 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.03 109.45 4.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -148.59 75.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mt -131.2 80.04 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -119.88 124.43 46.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -66.99 158.84 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.79 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.2 tt0 -178.1 131.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.778 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -148.07 -91.07 0.08 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.91 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.49 -78.61 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.827 0.346 . . . . 0.0 111.081 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 98.1 m -156.41 141.65 17.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.879 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.3 OUTLIER -84.69 146.89 27.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.968 0.413 . . . . 0.0 111.105 -179.804 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.772 HD11 ' HG3' ' A' ' 26' ' ' MET . 3.7 mp -96.59 -51.81 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.049 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.3 132.99 0.11 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.327 179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.422 ' HA ' ' CB ' ' A' ' 23' ' ' VAL . . . -80.18 138.2 36.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.563 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.621 HG22 ' O ' ' A' ' 22' ' ' THR . 1.4 tp -111.6 -33.19 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 m-20 -152.64 51.42 0.76 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.677 ' O ' HG21 ' A' ' 62' ' ' THR . . . 60.38 -75.49 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.808 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.483 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 22.2 p30 -76.13 -22.23 55.7 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.046 179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.621 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.0 m -105.88 111.37 24.0 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.734 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' CB ' ' HA ' ' A' ' 17' ' ' ALA . 1.4 p -147.63 147.54 17.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.273 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -84.8 110.57 18.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.345 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.773 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -113.03 133.36 55.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.01 -179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.91 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -82.35 101.58 10.68 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.536 179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 37.3 t80 -107.05 143.57 34.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.791 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.5 28.0 0.28 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.945 -179.89 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.23 19.0 56.51 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.651 -0.785 . . . . 0.0 113.586 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.8 pt20 -137.07 133.43 35.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.162 0.481 . . . . 0.0 111.171 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.66 100.7 8.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.254 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.5 ptp -114.95 152.79 31.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.736 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.3 m -80.09 113.42 18.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.974 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.887 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.5 m-85 -96.12 145.25 25.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -130.53 122.14 27.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.59 116.4 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.625 HD21 HD13 ' A' ' 89' ' ' LEU . 6.9 mt -76.03 136.3 39.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.32 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.829 ' HB3' HD13 ' A' ' 125' ' ' LEU . 23.0 mt 59.96 24.78 13.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.496 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG12 ' HB1' ' A' ' 109' ' ' ALA . 9.4 t -141.95 143.27 27.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.952 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.63 108.79 10.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.97 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -107.66 88.93 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.805 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 78.04 141.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.136 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -148.45 -46.93 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 p 55.5 97.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.063 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.72 23.42 13.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.62 -163.2 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.003 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -131.71 48.2 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -79.75 -44.97 19.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.774 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.87 -35.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.792 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.12 17.28 4.56 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.806 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 51' ' ' VAL . 17.6 t -152.02 29.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 111.019 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -33.03 74.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.82 36.36 4.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.818 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.421 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 61.33 47.08 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.455 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -77.84 -47.22 8.78 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.542 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' HG22 ' A' ' 51' ' ' VAL . . . -62.29 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.83 -31.52 72.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.97 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.17 -50.84 72.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 t -68.35 -37.96 81.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.249 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 15.1 t80 -57.59 -46.75 83.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.783 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.708 ' O ' HG13 ' A' ' 66' ' ' VAL . 83.4 m -74.31 -39.68 62.72 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.6 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.26 -46.48 89.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.844 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.35 -33.98 58.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.572 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 2.8 tpt -72.1 -35.58 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.34 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.879 ' HB ' HD22 ' A' ' 14' ' ' LEU . 33.2 m -77.3 -46.21 28.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.408 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -70.61 -35.88 73.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.468 -179.6 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -79.4 -25.97 42.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.187 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.621 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -63.15 -38.91 93.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.6 mmtt 74.45 -23.48 0.23 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.896 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 69' ' ' ALA . 3.6 tttm -131.21 119.83 22.39 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.773 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.19 135.55 61.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.162 0.506 . . . . 0.0 112.064 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 2.4 mp0 -131.1 141.03 50.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.272 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.2 m -123.49 148.6 27.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.909 0.385 . . . . 0.0 111.475 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -126.73 115.99 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 39.2 m-85 -83.2 133.0 35.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.8 -171.03 1.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.708 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.73 15.61 24.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.294 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.418 ' HA2' ' HA3' ' A' ' 117' ' ' GLY . . . -90.58 -88.52 1.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.57 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -145.23 139.93 27.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.027 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -71.79 -35.98 70.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.845 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.7 p -134.63 99.9 4.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.514 179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.71 ' HB2' HD11 ' A' ' 89' ' ' LEU . 2.9 t0 -49.14 -69.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.267 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HG2' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -167.88 32.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.171 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' A' ' 84' ' ' LYS . 65.5 m-85 -140.65 22.7 2.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.969 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.5 25.96 21.91 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.562 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -97.76 -171.73 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.921 0.391 . . . . 0.0 110.949 -179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.14 83.86 0.36 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.933 -0.651 . . . . 0.0 112.362 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.71 HD11 ' HB2' ' A' ' 83' ' ' ASP . 16.7 mt -55.12 115.69 2.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.844 0.354 . . . . 0.0 111.065 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.607 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.23 163.23 0.68 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.095 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.504 ' HA ' HD23 ' A' ' 36' ' ' LEU . 8.1 m-85 -82.27 142.29 32.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.565 HD13 HG12 ' A' ' 74' ' ' VAL . 16.8 mm -99.62 134.28 39.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.842 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.435 ' CD2' ' HA ' ' A' ' 98' ' ' MET . 90.2 m-85 -125.1 139.87 53.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.816 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.621 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -119.32 130.94 55.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.3 t0 40.78 43.08 1.6 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.993 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.61 19.87 72.64 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.778 -0.725 . . . . 0.0 113.184 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.8 OUTLIER -119.95 160.81 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.674 0.273 . . . . 0.0 110.513 179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.435 ' HA ' ' CD2' ' A' ' 93' ' ' TYR . 2.1 mtp -97.09 117.14 30.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.88 0.372 . . . . 0.0 110.793 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 103' ' ' LEU . 23.8 t -73.24 -31.18 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.997 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.68 ' O ' HG23 ' A' ' 104' ' ' VAL . 14.6 p-10 -61.91 -46.05 91.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.062 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 98' ' ' MET . 0.0 OUTLIER -75.44 -35.37 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.163 -179.741 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -62.14 -47.09 86.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.581 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.0 mt -65.48 -52.94 49.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.3 t -61.46 -48.6 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.311 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.5 mmm-85 -56.92 -30.96 64.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -91.38 -24.41 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.865 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.44 44.4 2.54 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.348 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.578 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.8 mm? -116.68 -29.33 6.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.74 0.305 . . . . 0.0 111.114 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.704 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -127.76 142.03 51.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.2 -173.51 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.476 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.9 t -97.89 112.38 29.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.233 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.693 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -63.85 -165.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -136.96 71.27 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.958 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.426 HG13 ' HD3' ' A' ' 116' ' ' LYS . 4.9 t -108.06 74.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 25.1 p90 -95.21 44.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.426 ' HD3' HG13 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -124.98 29.36 6.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.418 ' HA3' ' HA2' ' A' ' 79' ' ' GLY . . . 124.43 -36.56 2.87 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.595 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -82.68 61.05 5.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -130.41 62.15 1.59 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -100.96 -49.76 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.509 ' CD2' HD21 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -94.31 18.6 10.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.358 -179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.826 ' HA ' HD12 ' A' ' 125' ' ' LEU . 4.6 tt0 -59.39 -17.98 34.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.723 0.296 . . . . 0.0 111.354 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -73.71 -49.7 24.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.36 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' ND2' ' A' ' 100' ' ' ASN . 2.5 pp -70.01 -34.14 72.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.889 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.829 HD13 ' HB3' ' A' ' 38' ' ' LEU . 7.4 mt -64.69 -42.84 95.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.7 mtt-85 -66.81 -37.45 84.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.23 -50.84 28.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.965 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.5 m -60.78 -41.67 96.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.476 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.9 tt0 -69.09 -37.96 78.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.52 -48.7 78.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -60.89 -37.03 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.675 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.407 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -74.94 -30.7 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -70.01 -51.23 34.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.296 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -28.9 65.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.914 0.388 . . . . 0.0 110.736 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -85.96 -21.31 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.248 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 56.65 54.0 7.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.988 0.423 . . . . 0.0 110.77 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.407 HD12 ' CB ' ' A' ' 132' ' ' ALA . 7.3 mt -56.16 -74.03 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.421 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 72.6 m-20 -140.48 -69.52 0.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.989 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.865 HG23 ' O ' ' A' ' 107' ' ' GLY . 21.4 pt -56.72 -36.59 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.338 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.443 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -96.88 38.17 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.85 30.89 5.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -151.16 29.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.98 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -101.88 139.43 37.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.76 -42.14 5.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -114.54 120.85 41.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -76.92 -60.81 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 4.4 m -145.12 125.05 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 167.85 -121.81 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.886 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.807 0.337 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 t -162.43 154.67 19.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -61.45 135.31 57.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.6 p -90.6 157.74 17.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? 60.14 81.08 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -104.11 33.91 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 tp -147.29 95.29 2.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -123.01 167.89 13.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 6.7 mttp -89.88 155.57 19.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.584 ' O ' HG22 ' A' ' 74' ' ' VAL . 1.1 tp10 -176.31 125.09 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.016 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.584 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -149.86 -94.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.161 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 167.81 -80.17 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.695 0.284 . . . . 0.0 111.243 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.794 ' O ' HD23 ' A' ' 25' ' ' LEU . 47.6 m -149.58 145.4 26.78 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.869 0.366 . . . . 0.0 110.985 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.2 tm? -98.31 117.41 32.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.716 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.2 mp -69.14 -59.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.768 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -176.8 142.7 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.06 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.793 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.45 151.64 34.6 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.027 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -108.16 -43.19 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.94 52.2 0.56 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.843 0.354 . . . . 0.0 111.229 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.54 -64.48 0.61 Allowed Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.887 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -83.11 -35.92 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.99 0.424 . . . . 0.0 110.535 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.67 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -94.64 105.93 17.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.445 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.793 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -132.37 145.18 35.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.46 -179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.5 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -87.35 106.79 18.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.415 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.794 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.24 131.06 55.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 -179.547 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.891 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 9.8 ttp -78.42 102.05 7.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.608 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 8.0 t80 -103.86 137.28 42.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.66 29.54 0.12 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.274 -179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.04 19.13 37.36 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.933 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -140.66 132.84 28.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 117.312 0.556 . . . . 0.0 111.384 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -81.66 98.03 8.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.127 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.45 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 13.4 ptp -109.19 153.26 24.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.716 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.451 HG21 ' NH1' ' A' ' 87' ' ' ARG . 9.3 m -79.8 111.43 16.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.775 ' CE2' HG11 ' A' ' 74' ' ' VAL . 16.5 m-85 -95.92 130.2 42.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.67 ' HG2' HG23 ' A' ' 22' ' ' THR . 5.3 mmm-85 -117.91 123.09 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 100' ' ' ASN . 5.3 mt -55.05 121.52 8.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.763 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 39' ' ' VAL . 2.0 mt -80.94 133.01 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.459 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 38' ' ' LEU . 19.7 mt 62.66 30.6 16.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.681 179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.4 t -145.62 154.99 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.813 0.34 . . . . 0.0 110.989 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.5 OUTLIER -132.88 108.79 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.712 179.716 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.895 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -105.81 88.23 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.952 -179.856 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.617 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 73.71 139.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.251 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -148.15 -51.52 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER 60.26 93.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.38 23.13 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.976 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -124.28 -31.11 3.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 70.73 60.36 0.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.018 0.437 . . . . 0.0 110.908 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -90.65 -47.14 7.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.36 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.04 -21.79 0.51 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.803 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.535 ' O ' HG12 ' A' ' 51' ' ' VAL . 14.2 t -125.1 36.43 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.358 . . . . 0.0 111.165 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' HG2' HG23 ' A' ' 44' ' ' THR . 0.2 OUTLIER -60.1 -31.91 70.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.37 37.38 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 29.2 m-85 61.99 56.95 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.2 -44.73 4.62 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.456 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.3 85.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.773 0.321 . . . . 0.0 111.004 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -70.17 -31.21 68.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.895 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -59.24 -47.84 83.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.069 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -72.89 -35.02 67.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.59 -47.23 86.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.187 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HD2' HD23 ' A' ' 103' ' ' LEU . 2.5 t80 -66.89 -39.5 87.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.664 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.675 ' O ' HG13 ' A' ' 66' ' ' VAL . 63.6 m -73.95 -33.37 63.89 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 20.2 mttm -72.12 -44.14 63.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.331 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -34.38 68.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.005 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.693 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -72.14 -32.11 66.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.113 -179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 62' ' ' THR . 27.3 m -87.16 -45.64 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.468 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mm-40 -68.55 -25.58 64.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.254 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -95.15 -32.54 13.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.405 -179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -50.38 -47.87 56.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.574 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 86.0 -32.01 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 tmtt? -128.57 119.61 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.345 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.793 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.28 143.1 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.996 0.427 . . . . 0.0 111.518 -179.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 17.6 mt-10 -130.19 149.0 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.581 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.775 HG11 ' CE2' ' A' ' 34' ' ' PHE . 28.3 m -120.77 149.03 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 0.0 111.286 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 27.8 tt0 -134.26 115.89 14.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.575 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 44.1 m-85 -91.92 135.78 33.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.974 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.07 -167.24 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.785 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -102.51 18.14 21.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.186 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.71 -114.55 3.95 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.601 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.49 147.11 24.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.018 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 6.7 ttt-85 -101.63 -26.67 13.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.835 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.697 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.9 p -138.43 110.81 7.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.681 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.826 ' HB3' HD11 ' A' ' 89' ' ' LEU . 15.9 p30 -68.87 66.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.192 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt 49.12 27.7 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.469 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' HB3' ' HG2' ' A' ' 87' ' ' ARG . 3.1 m-85 -135.35 10.15 3.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.428 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.66 18.77 32.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.782 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -84.25 -171.45 3.62 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.817 0.342 . . . . 0.0 110.823 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -113.48 73.21 0.23 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.611 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.9 mt -56.71 118.5 4.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.699 0.285 . . . . 0.0 110.734 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.474 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 175.26 167.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.403 ' CE2' HD11 ' A' ' 125' ' ' LEU . 56.9 m-85 -83.3 138.98 33.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.989 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.712 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -101.29 136.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.426 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 6.5 m-85 -132.05 138.72 48.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.885 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.491 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -116.06 130.76 56.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.057 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.6 t0 40.85 43.52 1.73 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.86 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.63 75.3 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.108 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.91 153.17 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 0.0 110.744 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.404 ' HG2' ' CE2' ' A' ' 93' ' ' TYR . 2.5 mtt -89.78 116.15 27.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.489 HG12 ' CD1' ' A' ' 103' ' ' LEU . 30.1 t -72.99 -43.98 57.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.093 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 104' ' ' VAL . 7.2 p-10 -58.29 -50.01 75.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -64.08 -41.01 97.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.19 -53.95 52.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.548 HD23 ' HD2' ' A' ' 61' ' ' PHE . 4.1 mt -57.66 -53.03 62.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.08 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.0 t -62.85 -44.35 99.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.977 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -63.13 -31.14 72.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.651 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.41 -26.24 24.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.503 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 101.61 43.54 2.12 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.184 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -121.83 -29.59 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.718 0.294 . . . . 0.0 111.256 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -123.07 153.8 39.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 111.191 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -117.2 -174.33 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.863 HG23 ' HG3' ' A' ' 129' ' ' GLU . 25.8 t -91.21 110.97 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.13 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -71.04 -166.88 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.088 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -145.15 106.0 4.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.519 HG22 ' N ' ' A' ' 115' ' ' TYR . 11.5 p -88.09 160.0 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.519 ' N ' HG22 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -56.62 -58.92 6.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.898 179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.74 149.06 0.09 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.63 -40.21 2.51 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.571 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.538 ' ND2' HD11 ' A' ' 37' ' ' LEU . 95.7 m-20 -87.75 66.71 8.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.785 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -137.09 60.52 1.65 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 13.9 m -104.38 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.985 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.789 ' O ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -101.56 17.84 21.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.292 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.42 -18.53 39.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.408 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -72.71 -54.25 9.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.139 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.726 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -70.08 -33.94 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.2 mt -65.65 -40.27 92.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -78.4 -30.47 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.942 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -48.86 70.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 22.0 t -68.62 -40.9 80.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.863 ' HG3' HG23 ' A' ' 111' ' ' VAL . 5.7 tm-20 -62.37 -53.88 48.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.695 ' HB1' ' HE3' ' A' ' 134' ' ' LYS . . . -59.69 -45.75 91.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 134' ' ' LYS . 1.2 mp0 -60.7 -42.48 97.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -67.5 -34.94 78.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.663 ' HG3' ' N ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -69.7 -48.55 59.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.234 -179.577 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.695 ' HE3' ' HB1' ' A' ' 130' ' ' ALA . 12.8 mttt -56.69 -40.15 75.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.488 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -83.51 -12.07 56.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.429 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt 54.06 59.31 4.32 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.918 0.389 . . . . 0.0 110.726 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 20.5 mt -59.18 -76.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.414 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 12.7 m-20 -137.12 -80.16 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.199 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' C ' ' A' ' 108' ' ' LEU . 8.3 pt -49.79 -33.48 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.87 0.367 . . . . 0.0 111.391 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.504 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.8 m95 -93.86 32.13 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 59.5 p -98.36 27.88 4.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.93 30.87 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -112.67 89.32 3.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -113.51 174.19 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.938 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.16 146.14 51.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.029 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -156.59 31.28 0.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.5 t -110.06 87.13 2.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 93.25 -137.95 13.87 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.7 t -144.9 113.63 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 p -132.25 144.2 50.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.9 t -64.37 150.06 47.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.2 mttp -68.21 -179.26 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -60.25 -49.73 76.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mt -102.78 125.92 49.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.839 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -118.18 167.98 11.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CG ' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -89.58 146.09 24.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.62 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -176.75 128.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.656 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -154.45 -92.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.918 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.7 -78.64 0.0 OUTLIER 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.613 0.244 . . . . 0.0 111.095 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.771 ' O ' HD23 ' A' ' 25' ' ' LEU . 97.9 m -154.13 147.75 25.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -98.04 118.15 33.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.592 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.0 mp -67.05 -55.18 18.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.658 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.55 142.94 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.058 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.791 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.11 149.56 30.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mt -105.72 -48.12 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.296 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -149.84 52.47 0.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.213 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.565 ' O ' HG21 ' A' ' 62' ' ' THR . . . 69.58 -64.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.848 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -83.29 -35.01 25.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.428 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -94.45 105.88 17.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.419 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.791 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.7 m -132.72 144.08 37.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.253 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 14' ' ' LEU . 2.9 mtpt -87.51 106.39 17.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.121 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.84 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.66 140.47 40.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.301 -179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.918 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.0 OUTLIER -89.78 101.32 14.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.396 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.459 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 27.1 t80 -106.61 140.71 39.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.68 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.71 27.88 0.29 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.926 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.08 19.01 52.54 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.671 -0.775 . . . . 0.0 113.548 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -138.32 133.41 32.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 117.118 0.459 . . . . 0.0 111.243 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.412 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -84.12 111.12 19.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.175 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 7.8 ptp -123.71 153.19 41.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.761 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 m -79.84 112.23 16.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.042 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.58 ' CE2' HG21 ' A' ' 74' ' ' VAL . 18.3 m-85 -95.98 153.04 17.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.728 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.63 125.47 25.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 29.2 mt -57.5 122.27 12.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -64.57 124.83 22.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.569 -179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.758 HD21 HG12 ' A' ' 114' ' ' VAL . 18.2 mt 54.64 38.93 30.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.774 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 37' ' ' LEU . 3.0 t -136.89 141.08 41.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.787 0.327 . . . . 0.0 111.179 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.78 108.83 13.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.599 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.104 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -111.91 88.84 2.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 76.57 116.02 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.257 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -147.63 40.81 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.759 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.512 HG22 ' CG ' ' A' ' 52' ' ' GLU . 64.3 p -57.1 95.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.81 23.05 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.964 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -121.82 -26.8 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.226 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 71.08 58.66 0.19 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.011 0.434 . . . . 0.0 110.852 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -81.07 -53.25 6.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.94 -34.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.994 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.89 -18.21 2.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.801 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 51' ' ' VAL . 12.9 p -119.22 25.82 4.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.772 0.32 . . . . 0.0 111.238 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' CG ' HG22 ' A' ' 44' ' ' THR . 8.7 pt-20 -61.6 -31.06 71.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 36.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 61.2 m-85 60.97 58.23 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.568 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -92.07 -45.82 3.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.52 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.67 69.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.541 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.6 tp10 -78.26 -29.72 48.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.104 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.69 -47.79 81.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 t -71.91 -37.84 70.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.689 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -34.79 77.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.461 ' CZ ' ' HE2' ' A' ' 65' ' ' MET . 10.9 t80 -71.06 -47.94 55.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.8 HG23 HG11 ' A' ' 99' ' ' VAL . 30.2 m -74.23 -46.21 43.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.151 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -39.58 72.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.562 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -76.12 -56.28 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.319 0.58 . . . . 0.0 111.009 -179.572 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.461 ' HE2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 tpp -57.77 -31.11 66.19 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.455 -179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 62' ' ' THR . 9.7 p -81.89 -44.57 20.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.49 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 66' ' ' VAL . 4.2 mm-40 -74.85 -25.01 58.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.109 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -87.63 -30.09 20.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.073 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.634 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.08 -31.81 65.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.346 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 17.5 mttm 74.73 -22.86 0.24 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.978 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' C ' HD12 ' A' ' 72' ' ' ILE . 0.8 OUTLIER -133.03 119.93 20.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.703 0.287 . . . . 0.0 110.43 179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.84 HG21 HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.14 136.86 57.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.063 0.458 . . . . 0.0 111.811 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -128.02 146.54 50.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.656 HG22 ' HB2' ' A' ' 11' ' ' ALA . 29.1 m -128.91 149.05 33.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.031 0.444 . . . . 0.0 111.908 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.405 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 1.3 tt0 -129.88 115.78 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.299 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.456 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 38.4 m-85 -80.67 147.08 30.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 111.266 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -87.06 -156.27 0.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.69 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -109.63 -22.31 12.01 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.624 0.249 . . . . 0.0 111.318 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.65 -107.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.803 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -117.83 136.87 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 111.09 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 10.9 ttt180 -72.9 -26.05 61.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.844 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 87' ' ' ARG . 49.5 p -140.6 112.54 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.569 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB2' HD11 ' A' ' 89' ' ' LEU . 25.4 t0 -68.73 65.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.216 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.95 28.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.385 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -140.16 17.51 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.19 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.92 9.88 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.733 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' THR . 49.1 mtt-85 -88.09 -175.28 5.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 0.0 110.914 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.33 71.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.764 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.2 mt -55.57 112.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.824 0.345 . . . . 0.0 110.83 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.405 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 179.67 163.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.444 ' CE1' ' HB3' ' A' ' 37' ' ' LEU . 83.9 m-85 -79.84 142.08 35.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 74' ' ' VAL . 19.4 mm -104.31 135.11 43.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.711 179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CG ' ' HG2' ' A' ' 9' ' ' LYS . 38.5 m-85 -131.01 126.83 37.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.634 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.63 124.04 49.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.023 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.3 t0 40.79 43.38 1.66 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.99 19.73 71.98 Favored Glycine 0 CA--C 1.517 0.199 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.141 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 18.9 ttmt -119.03 139.93 50.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.829 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.95 116.03 20.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.8 HG11 HG23 ' A' ' 62' ' ' THR . 22.0 t -73.0 -39.52 57.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.194 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.671 ' O ' HG23 ' A' ' 104' ' ' VAL . 4.6 p30 -62.03 -49.69 75.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -67.42 -42.5 83.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.88 -46.06 85.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.336 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.568 HD11 ' OG1' ' A' ' 62' ' ' THR . 7.2 mt -63.73 -52.96 58.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.9 t -61.8 -50.94 78.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.477 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.66 -30.81 63.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.879 0.371 . . . . 0.0 111.06 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -21.93 25.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.856 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 96.44 40.25 3.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.155 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.541 HD11 ' HG2' ' A' ' 57' ' ' GLU . 4.4 mm? -116.96 -34.47 4.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.509 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -119.57 154.95 33.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 -176.64 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -74.78 120.24 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -78.21 -23.74 47.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.279 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 63.15 113.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.758 HG12 HD21 ' A' ' 38' ' ' LEU . 14.6 p -114.68 161.15 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.077 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 114' ' ' VAL . 2.8 t80 -47.58 -59.11 3.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.27 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.026 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.95 -27.42 29.63 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.918 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.606 ' HB2' HG11 ' A' ' 114' ' ' VAL . 1.5 m-80 -106.74 41.7 1.41 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -112.68 57.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 m -90.96 -60.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.704 ' O ' HD12 ' A' ' 125' ' ' LEU . 75.4 m80 -103.02 24.4 10.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -51.88 -25.86 8.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.18 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.34 -49.4 69.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.857 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.5 mt -59.76 -46.79 88.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 121' ' ' HIS . 4.9 mp -65.03 -44.09 90.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -39.09 86.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -44.99 74.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.0 t -59.53 -31.12 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.82 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -75.59 -47.18 27.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.758 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.88 -49.48 77.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -41.89 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.821 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.22 76.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.912 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.469 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -65.6 -51.13 62.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.227 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -61.45 -39.86 92.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -76.89 -24.84 52.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.529 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt 59.4 64.72 1.29 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.338 . . . . 0.0 110.67 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.07 -79.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.404 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 28.2 m-20 -132.75 -70.52 0.55 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.005 -179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.856 HG23 ' O ' ' A' ' 107' ' ' GLY . 16.8 pt -55.88 -37.25 46.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.285 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.3 m95 -97.93 35.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.5 m -117.84 32.37 6.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.918 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.49 31.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -117.56 116.23 26.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -139.8 94.32 2.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -120.17 83.33 2.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -109.59 172.61 6.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -69.25 123.78 22.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -119.92 -158.26 10.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.547 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 23.9 m -72.18 -50.61 26.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.03 145.86 35.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.4 p -110.87 126.94 55.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -144.86 116.16 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' HE3' ' CE1' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -139.99 171.72 13.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 tp -61.86 167.36 3.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -104.18 163.01 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.1 OUTLIER -85.23 147.31 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.731 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 32.0 tt0 -175.92 128.47 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.98 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.577 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -150.5 -92.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.054 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.912 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.46 -79.86 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.664 0.269 . . . . 0.0 111.331 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.774 ' O ' HD23 ' A' ' 25' ' ' LEU . 59.9 m -151.57 146.99 26.26 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.832 0.349 . . . . 0.0 111.171 -179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.655 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.1 tm? -98.22 119.33 36.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.772 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.655 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -71.18 -59.17 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.679 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -175.01 141.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.161 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.794 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -76.43 153.13 35.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.7 mt -110.24 -54.08 5.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.321 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -143.0 54.02 1.37 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.154 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.821 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.49 -67.62 0.4 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.739 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -82.29 -31.17 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.969 0.414 . . . . 0.0 110.459 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -95.93 105.97 18.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.309 179.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.794 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.4 m -132.61 144.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.505 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -86.29 106.65 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.218 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.25 132.29 55.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.221 -179.45 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.912 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 13.8 ttm -78.13 99.28 6.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 6.8 t80 -98.98 136.58 38.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 43.12 28.68 0.16 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.082 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.05 13.17 55.33 Favored Glycine 0 CA--C 1.52 0.393 0 C-N-CA 120.617 -0.802 . . . . 0.0 113.939 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.7 pt20 -132.97 131.76 41.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 117.517 0.658 . . . . 0.0 111.281 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -79.21 96.0 5.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.229 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.464 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 10.8 ptm -110.96 153.17 25.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.677 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 m -79.81 111.36 16.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.029 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.2 m-85 -96.03 140.56 30.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -121.18 123.38 42.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.683 HD22 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -55.37 109.01 0.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.808 179.867 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.783 HD21 HD22 ' A' ' 89' ' ' LEU . 6.1 mt -65.82 142.44 57.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.657 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 18.1 mt 54.64 23.82 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.516 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 37' ' ' LEU . 11.2 t -141.65 151.11 19.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.752 0.311 . . . . 0.0 110.914 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.31 108.87 6.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.714 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.082 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -113.87 58.67 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 166.17 94.01 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.708 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -116.41 47.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 111.068 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.37 91.02 5.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.01 24.26 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.053 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.77 -164.09 0.35 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.964 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m -133.33 48.07 2.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -59.59 -42.59 92.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.38 2.89 4.42 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.085 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.593 ' O ' HG12 ' A' ' 51' ' ' VAL . 16.1 t -149.29 31.22 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.852 0.326 . . . . 0.0 111.075 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -59.23 -33.78 71.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.56 38.04 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.727 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 82.9 m-85 61.55 58.19 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.959 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.7 -46.01 4.71 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.322 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.28 -48.49 28.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -59.74 -28.96 67.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.082 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.39 -48.06 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.554 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 63' ' ' LYS . 36.1 p -65.25 -40.64 94.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.453 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -57.94 -47.26 83.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.425 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 10.8 t80 -57.08 -46.49 82.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.821 HG21 ' O ' ' A' ' 20' ' ' GLY . 25.7 m -74.03 -33.05 63.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.114 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -72.0 -46.56 56.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.475 -179.587 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -68.1 -40.98 82.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.51 -179.268 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.27 -35.06 68.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.713 0.292 . . . . 0.0 111.158 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.493 ' CG2' ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -82.72 -40.53 16.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.703 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.57 -21.33 60.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.348 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -94.74 -29.53 14.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.268 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.881 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -53.06 -43.9 67.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.483 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.0 OUTLIER 85.61 -31.37 0.05 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.395 -179.748 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -128.65 119.91 25.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.761 0.315 . . . . 0.0 110.473 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.815 HG21 HD11 ' A' ' 25' ' ' LEU . 3.3 mp -121.95 139.66 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.024 0.44 . . . . 0.0 111.612 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 6.5 mt-10 -129.29 136.09 49.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.222 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG21 ' CE2' ' A' ' 34' ' ' PHE . 24.6 m -112.96 149.02 15.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.028 0.442 . . . . 0.0 111.587 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -126.4 115.84 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.595 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 28.5 m-85 -92.2 122.84 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.951 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.26 -177.88 4.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.806 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.07 -22.72 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.02 160.43 8.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.651 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.723 ' O ' HD11 ' A' ' 89' ' ' LEU . 1.8 pt20 -59.62 125.58 24.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.772 0.32 . . . . 0.0 110.993 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.446 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 22.7 ttt180 -51.77 -29.09 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.018 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 87' ' ' ARG . 6.5 p -135.82 108.87 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.555 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB2' HD23 ' A' ' 89' ' ' LEU . 10.7 t0 -70.26 64.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.152 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt 47.13 29.34 1.12 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.14 16.04 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.362 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.9 23.26 22.2 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.735 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.651 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 mtt-85 -114.77 168.49 9.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.68 75.82 0.21 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.077 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 89' ' ' LEU . 1.2 pp -59.01 148.54 30.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.975 0.417 . . . . 0.0 111.085 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 171.07 167.46 0.08 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.741 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -79.45 129.47 34.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.583 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' VAL . 15.8 mm -99.84 133.26 43.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.341 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.484 ' HE2' ' HE3' ' A' ' 98' ' ' MET . 60.5 m-85 -132.09 130.63 41.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.851 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.881 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.92 122.59 46.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t0 40.91 43.08 1.66 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.952 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 83.2 16.24 69.89 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 113.201 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -106.28 151.65 24.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.681 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.49 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 32.3 mtp -97.23 109.19 21.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG12 HD12 ' A' ' 103' ' ' LEU . 21.7 t -73.21 -47.61 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.64 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.0 p-10 -48.63 -48.72 39.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.472 -179.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 17.3 pt-20 -75.38 -41.44 56.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.98 80.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.952 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.587 HD23 ' HB2' ' A' ' 108' ' ' LEU . 8.7 mt -65.78 -53.15 44.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.7 t -65.28 -49.5 78.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.179 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -31.59 51.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.916 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.99 -27.09 18.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.793 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.881 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 98.3 48.47 1.86 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.452 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.749 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.2 mm? -120.17 -27.85 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.786 0.326 . . . . 0.0 111.173 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -138.22 135.9 36.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.265 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -86.48 -171.8 3.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 179.753 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.412 HG23 ' HG3' ' A' ' 129' ' ' GLU . 21.6 t -105.59 113.95 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 111.549 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.606 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -57.86 -165.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -148.79 89.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG21 ' HB3' ' A' ' 118' ' ' ASN . 28.8 t -74.01 156.63 6.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.055 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.46 ' N ' HG12 ' A' ' 114' ' ' VAL . 75.6 m-85 -59.05 -49.01 79.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.994 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 1.4 pttp 178.24 -34.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.28 -54.67 18.9 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.893 -0.67 . . . . 0.0 112.863 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.647 ' HB3' HG21 ' A' ' 114' ' ' VAL . 7.0 t-20 -98.41 90.1 4.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.863 0.364 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -152.02 39.19 0.6 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -91.63 -55.07 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.658 ' O ' HD12 ' A' ' 125' ' ' LEU . 6.6 m170 -85.57 4.92 33.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.45 -26.77 8.71 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.738 0.304 . . . . 0.0 111.175 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -65.2 -46.88 78.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.81 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mt -60.49 -50.0 75.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.779 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.658 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.2 mp -61.1 -36.0 78.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.88 -40.3 88.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.1 -40.71 74.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.92 -37.15 78.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 111' ' ' VAL . 2.2 tt0 -65.96 -56.7 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.519 ' HB1' ' CE ' ' A' ' 134' ' ' LYS . . . -59.06 -39.29 81.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -60.96 -46.84 89.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.33 67.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -67.44 -51.08 55.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.519 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 7.7 mttm -65.41 -37.64 87.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.839 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -78.66 -22.85 46.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.267 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? 58.75 66.58 1.04 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.968 0.413 . . . . 0.0 110.687 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.82 -77.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.165 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.2 m-20 -136.16 -75.28 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.283 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.881 HG23 ' O ' ' A' ' 107' ' ' GLY . 28.1 pt -53.0 -35.53 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.443 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 110' ' ' LYS . 14.1 m95 -100.29 28.25 5.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.992 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.4 t -112.41 23.54 13.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.982 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 176.52 39.95 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -101.99 166.51 10.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . 0.428 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 1.6 m-80 -109.12 -28.8 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 144' ' ' ASN . . . 68.73 -68.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -96.3 74.35 2.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 26.2 p -103.68 -170.12 1.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -132.12 77.66 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.928 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.86 0.362 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -138.71 175.61 9.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 m -163.45 -46.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 5' ' ' LYS . 1.2 m -97.75 170.3 9.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' H ' HG22 ' A' ' 4' ' ' THR . 7.5 mttm 60.87 88.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.5 tptt -147.89 -47.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 7' ' ' LEU . 1.2 pp -141.51 83.12 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 9' ' ' LYS . 8.7 t60 -98.37 139.3 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -112.1 154.83 24.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 0.4 OUTLIER -133.35 -140.1 0.19 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.687 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.885 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 69.15 -146.41 0.1 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.398 -0.189 . . . . 0.0 111.184 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 179.21 -67.06 0.01 OUTLIER 'General case' 0 C--O 1.232 0.145 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 26' ' ' MET . 46.9 m -141.32 158.41 43.91 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.16 0.505 . . . . 0.0 112.004 -179.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.803 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.5 tm? -98.33 139.88 33.44 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.958 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.4 mp -105.81 -53.53 6.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.873 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.02 129.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -74.87 153.05 38.84 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.94 0.4 . . . . 0.0 111.099 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.682 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -109.79 -50.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.388 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' ASP . 0.7 OUTLIER -158.92 78.08 0.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.696 0.284 . . . . 0.0 111.701 -179.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.838 ' O ' HG21 ' A' ' 62' ' ' THR . . . 58.68 -79.19 0.01 OUTLIER Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.216 -0.516 . . . . 0.0 113.532 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 58.3 m-20 -80.37 -22.01 41.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.69 0.281 . . . . 0.0 111.083 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.621 HG22 ' CD1' ' A' ' 18' ' ' ILE . 2.8 m -98.47 115.01 27.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.439 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 35.5 m -146.8 146.67 18.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.845 0.355 . . . . 0.0 111.554 -179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.6 106.87 18.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.572 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.779 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -112.5 136.37 52.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 -179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.5 ttt -75.45 100.0 4.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.584 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.451 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 5.4 t80 -99.1 133.94 42.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.897 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 41.86 30.11 0.15 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.25 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.3 19.13 36.63 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.867 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.0 pt20 -140.61 134.31 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 117.248 0.524 . . . . 0.0 111.18 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.69 98.79 7.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.414 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 6.2 ptp -113.63 153.02 29.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.6 m -80.01 113.26 18.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.898 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.5 m-85 -95.89 152.23 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.0 mmt180 -133.61 120.92 21.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD22 HG21 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.79 115.16 2.41 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.612 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.6 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -77.63 140.14 39.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.638 -179.24 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.743 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 21.2 mt 57.76 28.0 15.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.571 179.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 37' ' ' LEU . 21.4 t -140.94 150.52 20.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 111.286 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.94 108.86 10.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.761 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.772 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 6.4 m -118.2 85.87 2.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.697 ' HB2' ' O ' ' A' ' 55' ' ' GLY . . . 71.76 65.53 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.084 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -98.54 38.26 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.788 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 25.4 p -77.19 93.7 3.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 23.75 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.78 -25.58 7.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.206 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.67 62.55 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.975 0.417 . . . . 0.0 110.861 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt -78.77 -45.27 21.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.1 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 56' ' ' ALA . . . 121.46 17.52 3.93 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.91 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.2 t -152.12 30.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.894 0.378 . . . . 0.0 111.084 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.86 -24.54 58.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.999 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.77 42.84 0.31 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 22.5 m-85 59.24 21.13 9.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.697 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -57.33 -35.37 71.05 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.522 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 50' ' ' GLY . . . -59.61 -60.01 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.98 -24.66 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.058 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.772 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -58.22 -45.32 87.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.986 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 96.9 p -70.69 -35.39 72.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.812 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -66.64 -47.25 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.7 t80 -58.97 -45.02 91.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.838 HG21 ' O ' ' A' ' 20' ' ' GLY . 32.4 m -74.19 -36.51 64.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.517 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -65.52 -50.06 66.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -67.94 -36.9 80.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.229 -179.718 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 ttm -72.02 -33.62 68.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.941 0.401 . . . . 0.0 110.728 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.803 HG22 ' HG ' ' A' ' 14' ' ' LEU . 3.8 p -88.6 -22.15 6.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -85.61 -31.91 22.35 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.595 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.1 -37.73 19.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.115 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.878 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.4 84.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.083 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.97 -29.27 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.4 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.99 119.09 31.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 109.978 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.732 HD13 ' N ' ' A' ' 14' ' ' LEU . 1.3 mp -122.46 132.0 72.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.942 0.401 . . . . 0.0 111.344 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.827 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.0 OUTLIER -116.59 160.6 20.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.123 -179.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 34' ' ' PHE . 21.5 m -141.03 142.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 39.6 tt0 -120.3 115.97 24.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.794 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 59.4 m-85 -87.93 132.64 34.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.927 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -80.99 179.74 7.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.76 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -22.44 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -57.83 -105.56 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.735 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -116.89 154.53 30.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.886 0.374 . . . . 0.0 111.102 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 8.9 ttm180 -105.85 -26.81 11.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.5 p -143.44 112.68 6.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.473 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB2' HD11 ' A' ' 89' ' ' LEU . 10.3 t70 -74.9 60.35 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.302 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 17.3 mmmt 45.66 29.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.561 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.407 ' CD2' ' O ' ' A' ' 83' ' ' ASP . 22.6 m-85 -135.79 19.28 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.162 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.83 22.96 28.53 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.679 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -106.74 119.62 39.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.19 90.82 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.745 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' A' ' 83' ' ' ASP . 14.4 mt -63.66 116.8 6.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.751 0.31 . . . . 0.0 110.603 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 178.87 166.65 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.232 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.53 ' HA ' HD23 ' A' ' 36' ' ' LEU . 6.9 m-85 -81.64 142.17 32.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.734 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.435 HD13 HG12 ' A' ' 74' ' ' VAL . 21.9 mm -99.94 140.76 18.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.171 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -131.84 130.34 41.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.878 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -109.88 123.6 49.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.138 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 40.83 42.28 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.884 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.81 19.87 69.52 Favored Glycine 0 CA--C 1.518 0.236 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.049 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -117.81 142.53 47.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.71 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtp -82.26 113.09 19.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.582 HG12 ' CD1' ' A' ' 103' ' ' LEU . 17.4 t -73.0 -41.15 59.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 104' ' ' VAL . 10.6 p-10 -58.6 -40.86 84.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.0 -49.13 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.177 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.502 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -53.95 -42.79 69.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.473 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.582 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.3 mt -68.7 -53.06 24.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.105 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 100' ' ' ASN . 35.3 t -62.6 -51.01 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.202 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.08 -29.6 65.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -85.68 -28.02 24.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.777 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.88 41.86 2.21 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.514 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.677 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.7 mp -125.16 -29.87 3.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.647 0.261 . . . . 0.0 111.341 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.27 146.87 36.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.79 0.329 . . . . 0.0 111.08 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -102.87 -167.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.571 HG13 ' O ' ' A' ' 111' ' ' VAL . 13.8 p -116.07 112.46 39.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -74.91 162.49 28.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -124.4 81.71 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.677 HG12 HD21 ' A' ' 38' ' ' LEU . 14.3 p -68.12 159.24 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.014 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' N ' HG22 ' A' ' 114' ' ' VAL . 20.6 m-85 -55.77 -57.98 9.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.71 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 170.82 149.84 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.8 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 116.89 -30.71 6.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.636 ' ND2' HG21 ' A' ' 114' ' ' VAL . 5.1 m-80 -101.94 38.98 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.6 m-80 -96.35 42.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.585 HG22 ' CD2' ' A' ' 121' ' ' HIS . 59.4 m -81.5 -50.33 9.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.796 ' O ' HD12 ' A' ' 125' ' ' LEU . 44.2 m170 -113.57 20.19 16.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -53.77 -29.78 41.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.79 0.329 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.62 -33.97 60.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 121' ' ' HIS . 11.3 mt -64.37 -49.88 69.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.796 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.4 mp -66.6 -35.56 80.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -46.12 88.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.29 -50.07 73.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.4 t -57.84 -27.74 63.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.35 -51.89 12.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.544 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.57 -48.35 72.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.259 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.37 -40.64 96.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.801 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.59 -35.69 73.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.409 . . . . 0.0 110.672 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -78.39 -39.14 39.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.382 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.36 -29.18 64.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.571 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -93.95 -25.59 17.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.186 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm 62.39 70.43 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.939 0.399 . . . . 0.0 110.685 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 88.1 mt -78.15 -71.42 0.43 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.195 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 63.8 m-20 -138.96 -74.95 0.38 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.969 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.777 HG23 ' O ' ' A' ' 107' ' ' GLY . 12.6 pt -49.94 -39.33 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.503 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.402 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.4 m95 -101.64 30.76 4.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.4 p -107.94 30.47 6.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -160.06 29.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -127.8 124.81 38.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -95.51 110.13 22.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -107.51 74.83 0.98 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -177.19 101.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.5 m -134.31 -65.71 0.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 164.3 42.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.6 p -106.3 143.13 34.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.8 p -99.71 36.33 1.82 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 p -102.26 127.58 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.505 ' HB3' HD13 ' A' ' 7' ' ' LEU . 15.1 mttp -93.13 -43.62 8.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.44 72.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 HD13 ' HB3' ' A' ' 5' ' ' LYS . 3.1 mp -125.13 32.54 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -99.8 120.06 39.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.968 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -106.5 159.04 16.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.3 tp10 -176.25 131.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.808 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.859 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.46 -94.24 0.07 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.979 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.911 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.33 -78.53 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.6 0.238 . . . . 0.0 111.178 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 m -153.6 145.01 23.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.849 0.357 . . . . 0.0 111.121 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.05 121.37 39.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.744 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.661 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.4 mp -74.73 -58.95 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.23 145.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.296 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.797 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.22 152.85 28.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.05 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mt -109.92 -42.77 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -155.89 54.58 0.59 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.303 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.869 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.48 -65.98 0.41 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.922 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -83.47 -36.04 24.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.563 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.9 105.91 17.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.398 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.797 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.5 m -132.78 144.67 36.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.508 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.68 106.68 17.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.407 179.495 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -112.11 130.81 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.105 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.911 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.1 tpt -77.18 101.45 6.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.46 ' CD2' ' HD3' ' A' ' 28' ' ' LYS . 8.4 t80 -98.94 135.04 40.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.22 27.92 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.927 -179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.23 18.79 38.02 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.663 -0.779 . . . . 0.0 113.682 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.429 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.0 OUTLIER -136.46 127.84 28.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 117.303 0.551 . . . . 0.0 111.343 179.602 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -74.96 95.99 3.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.958 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.406 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 12.1 ptp -110.0 153.13 25.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.775 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.6 m -79.83 112.65 17.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.999 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.862 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.1 m-85 -95.93 151.45 19.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.786 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 2.4 mtp180 -137.99 123.39 19.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.797 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 100' ' ' ASN . 6.7 mt -56.62 130.97 47.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.528 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 39' ' ' VAL . 6.6 mt -86.07 139.87 30.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.787 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.479 HD21 HG12 ' A' ' 114' ' ' VAL . 18.1 mt 53.0 23.63 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.861 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 37' ' ' LEU . 14.5 t -131.68 150.01 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.841 0.353 . . . . 0.0 111.145 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -126.35 108.83 11.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.77 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.938 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -116.76 86.09 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.651 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.675 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 65.23 136.12 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -157.09 -43.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.367 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 44' ' ' THR . 5.0 t -48.78 92.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.251 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.82 35.36 1.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.181 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -141.88 89.56 2.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.8 m 60.0 67.74 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.704 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.475 ' CB ' HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -112.46 -35.18 5.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.199 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.7 OUTLIER 71.45 -62.99 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.973 0.416 . . . . 0.0 110.475 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 145.88 35.07 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.634 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 p -141.58 -36.02 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -40.39 -37.84 0.73 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.027 0.441 . . . . 0.0 111.036 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.15 26.84 0.7 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.184 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.444 ' CE2' ' HB3' ' A' ' 138' ' ' ASN . 46.8 m-85 61.25 37.51 17.23 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.763 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.469 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -58.9 -39.51 94.09 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.574 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.67 -29.09 69.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.0 111.114 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.766 ' HG2' HD21 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -86.41 -32.11 21.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.782 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.938 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.76 -52.12 66.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.958 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m -71.76 -39.01 70.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.4 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.92 -47.3 83.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.176 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.5 t80 -60.16 -45.45 93.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.993 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.869 HG21 ' O ' ' A' ' 20' ' ' GLY . 22.0 m -74.21 -32.77 63.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.692 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -71.9 -39.88 69.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.595 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.1 OUTLIER -76.18 -38.47 56.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.661 0.267 . . . . 0.0 111.474 -179.46 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -67.43 -35.88 80.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.71 0.291 . . . . 0.0 111.05 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 62' ' ' THR . 34.0 m -78.79 -46.91 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.232 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.3 mm-40 -60.55 -26.85 67.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -92.02 -32.17 15.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.655 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.894 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -72.01 85.18 0.99 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -48.22 -28.21 2.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.205 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 119.3 27.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.291 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.628 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.7 mp -122.4 141.62 42.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.935 0.398 . . . . 0.0 111.293 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.5 mt-10 -129.45 150.52 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.767 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.862 HG21 ' CE2' ' A' ' 34' ' ' PHE . 27.6 m -132.27 149.08 32.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.897 0.38 . . . . 0.0 111.312 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.631 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -123.76 122.46 38.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' A' ' 81' ' ' ARG . 35.2 m-85 -97.14 129.9 44.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.86 -163.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.44 -13.42 21.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.478 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA2' ' HA3' ' A' ' 117' ' ' GLY . . . -58.94 -108.13 0.01 OUTLIER Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.584 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -126.1 138.13 53.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.245 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -75.94 -34.9 59.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.285 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.5 p -129.1 104.61 7.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.242 179.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.835 ' HB3' HD11 ' A' ' 89' ' ' LEU . 20.1 p-10 -45.89 -46.69 16.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.631 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.28 -46.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.216 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -65.77 -28.09 68.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.081 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 111.83 31.84 2.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.442 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.27 135.05 47.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.976 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -66.82 91.89 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.733 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.835 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.6 mt -62.54 121.61 13.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.31 . . . . 0.0 110.636 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.631 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 177.14 167.1 0.57 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.901 0.381 . . . . 0.0 111.191 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -83.27 142.01 31.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.738 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.512 HD13 HG12 ' A' ' 74' ' ' VAL . 25.6 mm -99.94 135.37 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.165 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.476 ' O ' HG23 ' A' ' 72' ' ' ILE . 91.8 m-85 -127.3 124.4 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.894 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -108.39 122.99 48.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.021 -179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 40.84 43.12 1.63 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.898 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.24 18.54 71.47 Favored Glycine 0 CA--C 1.518 0.28 0 C-N-CA 120.785 -0.722 . . . . 0.0 113.256 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.3 tptm -120.91 139.96 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.704 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 30.3 mtp -80.17 116.23 20.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' O ' HD12 ' A' ' 103' ' ' LEU . 17.3 t -73.04 -44.43 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.595 ' HB3' HD22 ' A' ' 36' ' ' LEU . 6.5 p-10 -58.27 -50.09 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.025 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.63 -49.48 70.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.443 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -52.11 -40.85 61.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.302 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 109' ' ' ALA . 6.2 mt -67.98 -50.8 53.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.585 ' CG2' ' HB3' ' A' ' 109' ' ' ALA . 47.7 t -63.96 -48.1 87.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.059 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -31.21 66.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.771 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.402 ' HB3' HD13 ' A' ' 108' ' ' LEU . 0.0 OUTLIER -85.98 -28.05 24.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.62 41.36 1.88 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.766 HD21 ' HG2' ' A' ' 57' ' ' GLU . 9.8 mp -126.97 -24.2 3.51 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -111.34 146.68 36.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.862 0.363 . . . . 0.0 111.156 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 60.1 mttt -113.38 -167.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.48 99.89 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -74.05 174.06 9.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.324 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 113' ' ' TYR . 4.0 m-85 -116.38 110.12 18.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.777 HG21 ' HB2' ' A' ' 118' ' ' ASN . 13.6 p -92.45 16.14 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.556 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 69.93 -66.31 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 169.42 147.81 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' HA3' ' HA2' ' A' ' 79' ' ' GLY . . . 113.03 -27.96 9.18 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.165 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.777 ' HB2' HG21 ' A' ' 114' ' ' VAL . 15.4 m120 -111.66 28.66 8.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -106.35 61.69 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 67.4 m -95.36 -40.31 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.812 ' O ' HD12 ' A' ' 125' ' ' LEU . 2.0 m80 -106.76 25.0 11.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.28 -28.55 28.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.244 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -66.22 -37.04 84.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.96 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 20.4 mt -69.99 -50.08 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.025 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.812 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.3 mp -63.97 -47.18 81.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -58.16 -39.28 78.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -48.15 81.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.742 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.0 p -61.59 -35.26 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.7 -51.24 43.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.7 -48.98 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.219 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.61 -47.07 85.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.47 90.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.04 -36.15 59.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.552 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -29.27 57.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.611 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -95.71 -23.35 17.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.246 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.75 69.76 0.62 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.906 0.384 . . . . 0.0 110.636 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 18.8 mt -78.41 -76.02 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 13.5 m120 -129.99 -79.62 0.55 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.252 -179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 10.3 pt -49.38 -41.72 15.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.443 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -98.04 33.92 2.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.2 p -126.98 28.58 5.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.787 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -161.74 30.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -64.98 172.05 3.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -159.58 144.5 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -88.63 148.33 24.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 60.73 107.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 m -82.27 93.51 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 179.88 138.36 3.34 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.91 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.807 0.337 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.9 p -71.79 150.53 44.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.65 168.58 19.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.2 m -161.67 155.13 21.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -92.99 118.59 31.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' C ' HD22 ' A' ' 7' ' ' LEU . 4.7 mtpm? -89.99 115.91 27.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 HD22 ' C ' ' A' ' 6' ' ' LYS . 4.4 mm? -115.11 106.92 14.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -123.02 155.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -73.12 159.05 34.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.4 tp10 -176.9 132.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.756 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.788 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -150.51 -92.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.004 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.914 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.55 -78.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.762 0.315 . . . . 0.0 111.208 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.5 m -157.54 148.19 21.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.774 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD22 ' HB ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -88.54 147.15 24.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.272 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.53 HD11 ' CB ' ' A' ' 26' ' ' MET . 3.6 mp -98.2 -48.41 12.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.142 179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 130.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.588 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -77.16 141.58 40.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.768 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.97 HD12 HG22 ' A' ' 22' ' ' THR . 8.0 mt -101.69 -64.06 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.583 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 5.4 m-20 -142.83 53.63 1.39 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.623 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.46 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.96 -65.57 0.2 Allowed Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.871 -0.681 . . . . 0.0 113.063 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.624 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 4.0 p30 -84.42 -4.93 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.698 0.285 . . . . 0.0 110.661 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.97 HG22 HD12 ' A' ' 18' ' ' ILE . 4.5 m -127.54 105.9 8.81 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.978 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.588 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.4 p -140.95 142.55 29.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.951 0.405 . . . . 0.0 111.297 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -84.96 110.73 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.459 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -111.91 136.52 51.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.086 -179.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.914 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 7.0 ttm -85.81 105.6 16.44 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.459 179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 44.6 t80 -110.06 144.29 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.781 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.8 27.83 0.3 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.892 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.69 19.03 57.37 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 113.615 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 7.7 pt20 -136.67 134.31 37.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.175 0.487 . . . . 0.0 111.162 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.52 109.47 16.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.179 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.452 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 16.9 ptm -123.37 153.41 40.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.694 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.425 HG21 ' NE ' ' A' ' 87' ' ' ARG . 2.2 m -79.75 110.49 15.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.843 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.691 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.94 148.55 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.624 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 14.2 mtp180 -139.16 132.11 29.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.798 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.947 HD22 HG21 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -60.59 133.16 55.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' ' 39' ' ' VAL . 3.2 mt -85.16 129.49 34.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.257 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 HD11 ' O ' ' A' ' 118' ' ' ASN . 14.5 mt 62.79 36.11 13.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.367 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.947 HG21 HD22 ' A' ' 36' ' ' LEU . 2.1 t -144.23 156.53 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.903 0.382 . . . . 0.0 111.047 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.96 108.65 5.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.832 HG22 ' HB1' ' A' ' 58' ' ' ALA . 21.7 m -117.7 57.85 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.982 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 174.26 159.36 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.43 33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.952 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -77.88 77.45 4.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.781 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.97 58.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.708 ' O ' HG23 ' A' ' 47' ' ' THR . 0.4 OUTLIER 65.31 94.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.993 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 46' ' ' HIS . 0.7 OUTLIER -171.38 72.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 47' ' ' THR . 38.3 tttt 79.56 -32.4 0.14 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.148 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 171.38 -33.8 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.56 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.19 12.19 6.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.673 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.591 ' O ' HG12 ' A' ' 51' ' ' VAL . 22.0 t -130.73 3.42 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -20.51 55.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.656 0.265 . . . . 0.0 111.237 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.16 41.44 3.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.903 0.382 . . . . 0.0 110.954 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 59.05 41.97 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -75.72 -57.55 4.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.546 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.59 ' HB2' HG22 ' A' ' 51' ' ' VAL . . . -63.77 -47.6 80.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 111.175 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.74 -30.67 61.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.832 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -58.93 -47.61 84.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.048 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -66.5 -34.02 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.416 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.89 -47.27 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.439 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.516 ' HD2' HD23 ' A' ' 103' ' ' LEU . 4.3 t80 -62.73 -44.14 96.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.01 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.651 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.3 m -73.97 -32.89 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.931 0.396 . . . . 0.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -71.94 -44.0 64.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.077 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.33 -34.58 58.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.008 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.614 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.1 OUTLIER -69.47 -35.49 75.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 -179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.724 ' HB ' HD22 ' A' ' 14' ' ' LEU . 32.6 m -81.98 -45.08 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.36 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.481 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.6 mm-40 -67.75 -35.65 79.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -82.04 -29.61 31.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.136 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.626 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.38 -47.36 81.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 7.6 mmtt 86.14 -31.83 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.254 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 121.55 35.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.437 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.78 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.03 135.32 62.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.998 0.428 . . . . 0.0 111.661 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 5.2 mt-10 -132.33 138.98 47.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.586 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.788 HG22 ' HB2' ' A' ' 11' ' ' ALA . 26.8 m -121.72 149.03 24.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.842 0.353 . . . . 0.0 111.314 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -129.22 116.01 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.764 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 67.6 m-85 -84.01 147.01 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -108.37 -174.82 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.84 -25.87 68.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -55.77 -171.14 0.1 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.636 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.662 ' HG2' HD12 ' A' ' 89' ' ' LEU . 0.8 OUTLIER -78.62 142.51 37.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.02 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 1.6 ttm180 -75.25 -25.85 58.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 18.2 p -135.16 108.28 7.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.769 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.8 ' HB3' HD11 ' A' ' 89' ' ' LEU . 16.2 p30 -70.61 64.5 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.185 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt 49.62 27.62 2.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.345 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -137.81 14.87 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.333 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.53 20.44 30.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.687 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 8.0 mpt_? -92.77 173.0 7.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.776 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -104.36 83.37 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.599 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.2 mt -59.43 115.89 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.363 . . . . 0.0 110.779 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 177.09 163.54 0.49 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -79.85 141.56 36.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.596 HD13 HG12 ' A' ' 74' ' ' VAL . 21.6 mm -99.91 134.8 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 81.0 m-85 -131.43 127.85 38.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.626 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.91 127.29 53.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 t70 40.91 43.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.777 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.14 22.55 73.53 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.044 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 94' ' ' ALA . 21.5 tttt -111.97 153.44 26.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.405 ' CB ' ' HG3' ' A' ' 101' ' ' GLU . 2.0 mtp -92.75 106.83 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.1 t -73.2 -40.23 57.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.025 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 HD21 HD21 ' A' ' 125' ' ' LEU . 57.3 t-20 -56.6 -50.31 72.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.18 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HG3' ' CB ' ' A' ' 98' ' ' MET . 2.9 pp20? -71.89 -41.86 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.219 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.58 79.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.44 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.653 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.437 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 36.6 t -68.7 -41.23 82.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.114 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -62.71 -30.35 71.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.679 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -88.24 -26.45 22.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.968 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.842 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.61 41.53 2.5 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.308 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.1 mm? -118.59 -32.45 4.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 111.062 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.524 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -122.37 156.28 34.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 179.2 4.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG23 ' CG ' ' A' ' 129' ' ' GLU . 22.5 t -83.97 113.94 23.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -78.55 178.74 7.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -120.05 94.55 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.581 HG12 HD21 ' A' ' 38' ' ' LEU . 13.4 p -76.31 154.69 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.418 ' N ' HG22 ' A' ' 114' ' ' VAL . 83.4 m-85 -61.18 -57.51 12.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 175.61 157.73 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.941 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 96.64 -30.82 8.24 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.398 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.68 ' O ' HD11 ' A' ' 38' ' ' LEU . 10.5 t-20 -97.24 89.57 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -152.8 36.17 0.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 12.6 m -90.52 -40.78 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.413 ' O ' HD13 ' A' ' 125' ' ' LEU . 78.8 m80 -104.25 -5.26 22.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.486 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -46.17 -29.95 1.76 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.797 0.332 . . . . 0.0 111.261 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.474 ' NE2' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -60.73 -45.52 93.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.69 179.833 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD21 ' NE2' ' A' ' 123' ' ' GLN . 19.7 mt -70.02 -36.89 75.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.658 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 38' ' ' LEU . 10.4 mp -59.2 -51.99 67.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.79 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.4 ttt85 -61.16 -37.09 81.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.725 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -40.43 88.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.674 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.6 t -75.91 -39.44 56.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.658 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.411 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.2 tt0 -69.06 -37.09 78.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.668 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.94 -46.19 79.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -37.44 82.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.677 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -76.02 -28.52 57.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.4 OUTLIER -73.53 -51.2 17.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.413 -179.863 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.58 -30.01 68.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.813 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -88.54 -21.96 23.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.288 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 55.62 63.38 2.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.948 0.404 . . . . 0.0 110.73 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.677 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.3 mt -67.83 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.246 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 79.9 m-20 -142.02 -77.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.205 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.842 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.3 pt -51.09 -42.25 24.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.55 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.8 m95 -90.58 50.12 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.857 0.36 . . . . 0.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.6 m -124.92 30.36 5.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.824 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.28 30.16 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.33 157.22 46.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 60.32 31.49 20.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -121.73 -42.86 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.78 78.36 1.76 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 17.9 t -140.49 167.06 23.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -105.22 -172.43 24.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.9 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.776 0.322 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.0 p -102.29 163.31 12.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -156.59 121.08 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.1 t -63.58 179.32 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.75 88.33 2.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 97.82 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.91 87.05 2.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -113.24 115.09 27.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.51 159.14 27.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -174.77 129.65 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.822 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -143.35 -89.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.143 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.832 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.36 -79.47 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.748 0.309 . . . . 0.0 111.502 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.3 m -150.81 144.04 24.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.776 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD21 ' CG2' ' A' ' 23' ' ' VAL . 1.6 tm? -98.17 120.74 39.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.9 mp -74.48 -58.06 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.53 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -179.08 142.63 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.344 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.444 ' HA ' HG23 ' A' ' 23' ' ' VAL . . . -86.05 146.06 26.8 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.532 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.6 -32.12 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -179.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 21' ' ' ASP . 3.5 t0 -153.57 52.77 0.72 Allowed 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 121.019 -0.273 . . . . 0.0 111.655 -179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.678 ' O ' HG21 ' A' ' 62' ' ' THR . . . 61.0 -75.72 0.01 OUTLIER Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.723 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 2.7 p30 -75.9 -31.68 59.29 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.718 HG23 ' NE ' ' A' ' 35' ' ' ARG . 4.4 m -94.4 109.44 21.29 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.428 179.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.724 ' CG2' HD21 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -146.34 153.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 -178.629 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -97.92 113.24 25.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.806 HD11 HG21 ' A' ' 72' ' ' ILE . 0.2 OUTLIER -113.45 132.66 55.56 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.747 179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.832 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.1 ttm -82.27 97.83 8.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.0 t80 -98.96 138.91 35.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.599 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 45.23 28.07 0.39 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.745 -179.743 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.98 19.26 54.09 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.699 -0.762 . . . . 0.0 113.376 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -133.72 125.04 27.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.025 0.412 . . . . 0.0 111.179 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -76.59 95.94 4.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.12 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.435 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 11.3 ptm -108.15 153.13 23.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.745 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.408 ' CG2' ' NH1' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -80.02 110.12 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.18 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.677 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.8 m-85 -95.93 137.2 35.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.745 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.718 ' NE ' HG23 ' A' ' 22' ' ' THR . 4.4 mpt_? -127.15 119.06 25.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.63 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 21' ' ' ASP . 6.5 mt -50.27 138.87 15.85 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.253 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.609 HD21 HD13 ' A' ' 89' ' ' LEU . 4.7 mt -92.08 124.86 36.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.02 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.71 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 6.5 mt 65.08 33.57 9.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.239 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 HG21 HD22 ' A' ' 36' ' ' LEU . 2.0 t -139.69 149.09 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.935 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.98 108.67 7.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.889 HG22 ' HB1' ' A' ' 58' ' ' ALA . 15.6 m -114.62 89.02 2.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.849 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 77.45 146.66 0.09 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.117 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -164.65 37.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.3 p -58.7 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.081 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.95 23.47 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -132.79 -37.64 1.02 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 74.91 51.81 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.971 0.415 . . . . 0.0 110.796 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -72.11 -40.47 68.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER 179.76 -36.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.13 20.23 2.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.975 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.615 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.1 t -141.61 31.35 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.15 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -79.18 -21.62 46.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.31 35.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.769 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 18.7 m-85 62.1 57.67 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.538 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -92.12 -39.64 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.331 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.84 92.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -79.85 -29.69 40.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.889 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.07 -49.25 78.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.5 m -70.76 -39.19 73.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -62.48 -47.22 84.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.479 ' CG ' HD22 ' A' ' 108' ' ' LEU . 8.6 t80 -58.06 -49.7 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.702 ' O ' HG13 ' A' ' 66' ' ' VAL . 71.8 m -72.25 -33.35 67.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.975 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -45.28 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.213 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.25 -33.11 59.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.107 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.5 -33.32 71.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 62' ' ' THR . 33.1 m -82.24 -45.64 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.412 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.499 ' N ' HG23 ' A' ' 66' ' ' VAL . 5.0 mm-40 -68.36 -19.85 64.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.394 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -95.06 -32.02 13.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 0.0 111.172 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' LYS . . . -55.45 -47.08 76.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.395 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 9.2 mmtt 86.88 -32.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.198 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -125.63 119.55 28.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.798 0.332 . . . . 0.0 110.374 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.806 HG21 HD11 ' A' ' 25' ' ' LEU . 3.5 mp -122.24 140.12 47.1 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.092 0.472 . . . . 0.0 111.692 -179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.421 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.2 mp0 -133.27 143.62 49.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.531 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.822 HG22 ' HB2' ' A' ' 11' ' ' ALA . 22.5 m -127.39 149.05 32.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.848 0.356 . . . . 0.0 111.267 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -128.67 115.9 18.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 38.2 m-85 -83.36 117.04 22.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.46 -167.54 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.75 -16.3 22.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -54.72 -100.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.687 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.548 ' HG2' HD12 ' A' ' 89' ' ' LEU . 30.6 tt0 -126.28 135.74 51.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 110.952 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 4.6 tmm_? -87.43 -27.1 22.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 HG22 ' O ' ' A' ' 87' ' ' ARG . 14.2 p -138.25 110.4 7.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.728 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.611 ' HB2' HD11 ' A' ' 89' ' ' LEU . 3.8 t0 -70.35 64.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt 53.33 24.06 3.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.389 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.439 ' CD2' ' NH2' ' A' ' 87' ' ' ARG . 7.7 m-85 -138.23 12.28 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.268 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.47 18.86 31.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.518 -179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.439 ' NH2' ' CD2' ' A' ' 85' ' ' TYR . 27.4 mtt180 -78.53 -176.96 5.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.82 0.343 . . . . 0.0 110.949 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -106.18 68.34 0.24 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.398 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.611 HD11 ' HB2' ' A' ' 83' ' ' ASP . 11.3 mt -53.88 122.0 9.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.912 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.548 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 175.57 166.99 0.36 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.008 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' ' ND1' ' A' ' 121' ' ' HIS . 75.5 m-85 -82.09 142.13 32.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.526 HD13 HG12 ' A' ' 74' ' ' VAL . 11.4 mm -99.7 134.98 37.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.446 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 85.1 m-85 -129.47 128.55 43.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -113.13 126.34 55.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.206 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.9 t70 40.85 42.18 1.4 Allowed 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.097 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.95 17.99 71.0 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.299 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 93' ' ' TYR . 3.4 ttpm? -122.75 147.41 46.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.728 0.299 . . . . 0.0 110.46 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.412 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 3.2 ttp -87.6 121.0 29.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.883 0.373 . . . . 0.0 111.054 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.403 HG12 HD12 ' A' ' 103' ' ' LEU . 16.0 t -73.19 -34.34 44.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.635 ' O ' HG23 ' A' ' 104' ' ' VAL . 53.4 t-20 -59.49 -50.13 75.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.999 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 2.4 pp20? -70.62 -38.45 73.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.015 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.447 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -58.65 -45.65 88.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.188 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.62 HD11 ' OG1' ' A' ' 62' ' ' THR . 12.2 mt -68.57 -53.12 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 109' ' ' ALA . 35.2 t -62.59 -47.2 94.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.255 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -59.16 -31.81 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.898 0.38 . . . . 0.0 110.757 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' C ' HD13 ' A' ' 137' ' ' LEU . 0.1 OUTLIER -87.02 -26.22 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.82 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.826 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 101.16 41.93 2.5 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.412 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.67 HD12 ' C ' ' A' ' 107' ' ' GLY . 7.1 mp -122.02 -24.45 5.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.598 0.237 . . . . 0.0 111.389 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.79 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -130.13 135.62 48.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -101.05 173.88 6.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 HG23 HD23 ' A' ' 125' ' ' LEU . 11.8 p -86.34 118.07 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -70.33 -165.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.038 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -132.0 92.79 3.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.993 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' H ' HD21 ' A' ' 38' ' ' LEU . 29.5 t -110.29 96.34 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.013 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -97.95 31.2 2.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.024 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.3 mmtp -100.39 -28.75 12.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.18 -26.54 0.37 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.492 ' OD1' HD13 ' A' ' 37' ' ' LEU . 26.3 t30 -66.86 81.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -136.15 38.06 2.75 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.9 m -94.0 -50.03 5.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.526 ' O ' HD13 ' A' ' 125' ' ' LEU . 38.5 m80 -84.9 -7.04 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.417 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -48.73 -27.14 2.72 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.702 0.287 . . . . 0.0 111.317 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -65.34 -48.66 72.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.777 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.02 -34.04 74.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.554 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.557 HD23 HG23 ' A' ' 111' ' ' VAL . 10.0 mp -60.22 -51.97 67.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.775 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -59.92 -41.39 91.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.807 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -62.49 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 29.1 p -75.1 -37.97 61.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.44 -43.13 70.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.01 96.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.033 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -43.41 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.7 -29.93 66.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.2 -50.99 16.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -59.3 -40.91 87.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -85.55 -21.26 28.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.36 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt 61.18 66.52 0.88 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.929 0.395 . . . . 0.0 110.612 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 106' ' ' GLN . 7.4 mt -65.37 -74.22 0.11 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.205 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 72.1 m-20 -136.29 -75.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.189 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.826 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.4 pt -52.84 -35.4 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.362 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.422 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.0 m95 -98.6 32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.42 30.16 7.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -171.34 34.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -110.83 96.33 6.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -113.81 -39.55 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.88 178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.72 100.04 10.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -63.9 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -111.84 -169.86 18.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.901 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.02 -176.87 4.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.6 m -123.67 -69.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -68.03 -65.93 0.63 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.11 171.79 9.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -113.07 150.63 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 75' ' ' GLU . 0.2 OUTLIER -124.22 81.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -109.37 167.97 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.6 OUTLIER -67.64 151.6 47.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 2.7 tt0 -178.84 132.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.564 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -153.18 -90.56 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.204 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.897 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 169.04 -75.1 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.835 0.35 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' MET . 49.9 m -163.51 147.68 10.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.021 HD13 HG21 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -95.04 141.42 28.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 0.0 111.001 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.794 HD11 ' HB2' ' A' ' 26' ' ' MET . 4.9 mp -91.73 -46.66 14.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.495 179.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.28 141.15 0.16 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.249 179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.768 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.89 153.12 27.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.902 179.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.762 HD12 HG22 ' A' ' 22' ' ' THR . 20.8 mt -106.6 -56.05 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.364 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' O ' ' N ' ' A' ' 21' ' ' ASP . 19.5 m-20 -147.28 60.1 1.17 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.344 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.875 ' O ' HG21 ' A' ' 62' ' ' THR . . . 65.51 -69.14 0.1 Allowed Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.852 -0.69 . . . . 0.0 113.032 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 6.6 p-10 -80.33 -29.87 38.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.493 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.762 HG22 HD12 ' A' ' 18' ' ' ILE . 1.7 m -100.03 111.16 23.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.234 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.768 HG12 ' CB ' ' A' ' 17' ' ' ALA . 25.7 m -138.42 148.96 24.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.963 0.411 . . . . 0.0 111.703 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.539 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 1.6 mtpt -85.92 106.88 17.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.36 179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.735 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -110.14 130.05 55.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.357 -179.457 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.897 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.3 ttt -81.62 98.97 8.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.497 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 38.7 t80 -103.29 141.72 35.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.79 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.72 27.95 0.3 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.886 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.93 19.11 54.73 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.53 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.29 133.29 34.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.055 0.428 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.539 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -81.99 108.49 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.158 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.448 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 8.6 ptp -122.71 153.13 39.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 18' ' ' ILE . 5.5 m -79.94 112.4 17.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.015 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.588 ' CE2' HG21 ' A' ' 74' ' ' VAL . 15.8 m-85 -95.86 157.33 15.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.719 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -139.03 123.62 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.051 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 mt -58.43 122.8 14.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.873 HD22 ' ND2' ' A' ' 118' ' ' ASN . 1.4 mt -80.48 132.45 35.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.436 -179.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 125' ' ' LEU . 9.7 mt 63.98 30.24 14.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.537 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.5 t -146.34 153.3 13.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.998 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.03 108.77 6.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.648 179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.933 HG22 ' HB1' ' A' ' 58' ' ' ALA . 4.3 m -114.58 88.02 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 70.49 162.11 0.23 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.187 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -168.6 -43.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.646 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 54.57 84.07 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.201 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.58 31.48 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.736 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -151.36 -40.41 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.031 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.91 69.13 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -96.6 -44.28 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -177.67 -33.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.429 ' N ' ' HG2' ' A' ' 49' ' ' LYS . . . 116.5 26.91 2.99 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.585 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 51' ' ' VAL . 14.9 t -148.35 23.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.777 0.322 . . . . 0.0 111.29 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -72.45 -23.49 61.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.952 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -162.4 37.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HG22 ' A' ' 139' ' ' ILE . 10.9 m-85 62.85 53.18 2.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -84.38 -39.53 9.0 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.64 -54.52 18.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.378 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.56 -28.12 66.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.028 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.933 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.07 -49.29 77.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.787 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.0 t -71.3 -41.2 70.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.835 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.42 ' O ' ' HD3' ' A' ' 64' ' ' LYS . . . -57.85 -34.76 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.301 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.451 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 9.4 t80 -74.24 -43.46 56.95 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.875 HG21 ' O ' ' A' ' 20' ' ' GLY . 2.2 m -74.23 -44.36 53.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.517 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' A' ' 66' ' ' VAL . 1.2 ptpt -67.13 -36.95 83.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.678 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.533 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -70.44 -59.48 2.83 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.619 0.723 . . . . 0.0 110.722 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.653 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.0 OUTLIER -57.89 -30.31 65.76 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.667 -1.152 . . . . 0.0 111.587 -179.183 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.021 HG21 HD13 ' A' ' 14' ' ' LEU . 9.3 p -82.17 -43.35 19.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.497 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' N ' HG13 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -75.1 -31.78 61.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.842 0.353 . . . . 0.0 110.805 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -82.79 -26.21 32.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.772 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.723 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.64 -41.56 81.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.1 OUTLIER 83.64 -29.52 0.09 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.532 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 72' ' ' ILE . 4.8 ttmt -129.51 120.43 25.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.495 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.735 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.1 mp -122.09 140.55 45.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.017 0.437 . . . . 0.0 111.455 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 28.4 mt-10 -133.19 135.84 45.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.59 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.717 ' CG1' HD13 ' A' ' 25' ' ' LEU . 33.7 m -113.22 149.07 15.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.361 -179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 52.1 tt0 -129.42 115.93 18.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.759 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 81' ' ' ARG . 41.5 m-85 -89.62 125.54 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -169.38 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.93 -13.83 43.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.292 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' HA3' ' HB2' ' A' ' 118' ' ' ASN . . . -57.85 -106.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.697 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.497 ' HG2' HD12 ' A' ' 89' ' ' LEU . 3.1 tt0 -119.45 145.47 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 0.0 110.956 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HG2' ' CD2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -97.1 -29.58 13.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -144.84 113.78 6.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.567 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -70.63 63.0 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.26 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 9.7 mmtp 46.02 29.66 0.8 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.482 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 84' ' ' LYS . 26.1 m-85 -141.14 22.66 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.143 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.41 17.91 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.74 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -89.8 173.26 8.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.787 0.327 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.37 78.21 0.24 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.662 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.0 mt -59.42 124.85 21.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.734 0.302 . . . . 0.0 110.772 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 75' ' ' GLU . . . 173.59 167.05 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -81.7 141.39 33.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.832 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.2 mm -100.78 133.37 44.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 9' ' ' LYS . 87.0 m-85 -132.08 124.01 28.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.723 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.64 128.53 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 40.81 43.87 1.78 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.742 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.73 23.15 75.82 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.994 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 94' ' ' ALA . 23.3 tttm -113.67 154.15 27.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.763 0.316 . . . . 0.0 110.76 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.445 ' CB ' ' HG2' ' A' ' 101' ' ' GLU . 53.3 mtp -97.05 109.69 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.646 HG12 HD12 ' A' ' 103' ' ' LEU . 21.5 t -73.33 -49.32 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.648 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.616 ' O ' HG23 ' A' ' 104' ' ' VAL . 5.6 p30 -46.31 -50.1 16.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.545 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.445 ' HG2' ' CB ' ' A' ' 98' ' ' MET . 18.9 pt-20 -75.12 -43.1 54.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.19 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.38 73.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 99' ' ' VAL . 10.4 mt -69.41 -52.35 27.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.791 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 100' ' ' ASN . 28.0 t -64.82 -49.56 79.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.341 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -31.78 66.04 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.98 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -28.07 24.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.796 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.663 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.54 44.24 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.429 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.547 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.0 mm? -121.63 -29.85 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.712 0.292 . . . . 0.0 111.182 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.623 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -129.45 156.74 43.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 111.218 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.29 154.28 32.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.725 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.9 t -74.86 107.16 5.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.285 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.36 -165.39 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.964 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -146.96 104.82 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.068 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.817 HG12 ' HG2' ' A' ' 116' ' ' LYS . 11.7 t -88.46 -64.16 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 62.57 88.56 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.093 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.817 ' HG2' HG12 ' A' ' 114' ' ' VAL . 0.0 OUTLIER 173.61 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.773 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -171.15 -39.76 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.873 ' ND2' HD22 ' A' ' 37' ' ' LEU . 42.2 t30 -79.01 84.13 5.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.97 0.414 . . . . 0.0 110.863 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -144.89 42.46 1.32 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.619 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.0 m -98.0 -43.79 6.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.481 ' CD2' HD21 ' A' ' 124' ' ' LEU . 1.9 m80 -91.44 12.41 20.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.398 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.563 ' HA ' HD12 ' A' ' 125' ' ' LEU . 1.7 tt0 -60.58 -16.07 34.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.662 0.268 . . . . 0.0 111.455 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -78.95 -48.69 14.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.369 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' A' ' 121' ' ' HIS . 2.5 pp -70.08 -33.91 72.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.95 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.9 mt -69.07 -46.53 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 tpt85 -64.42 -31.22 72.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -68.99 -50.79 45.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -31.51 72.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.98 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -71.34 -57.46 4.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.983 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.18 -29.84 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.273 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -73.0 -45.8 55.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.657 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.32 -33.51 59.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.188 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.431 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -66.85 -50.96 60.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.282 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -68.44 -32.43 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.048 0.452 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -83.24 -20.72 34.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.37 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 141' ' ' SER . 49.2 mmtt 59.93 68.59 0.77 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.527 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.657 HD12 ' CB ' ' A' ' 132' ' ' ALA . 11.6 mt -74.78 -80.14 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.397 -179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 14.9 m-20 -132.09 -77.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.801 0.334 . . . . 0.0 111.446 -179.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 107' ' ' GLY . 19.3 pt -53.3 -42.52 47.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.608 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.3 m95 -79.53 -14.67 58.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.403 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.421 ' HA ' ' CD ' ' A' ' 136' ' ' LYS . 4.9 p -93.46 23.28 4.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.849 0.357 . . . . 0.0 110.955 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 142' ' ' GLU . 1.4 tt0 -169.58 51.39 0.04 OUTLIER 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.298 0.57 . . . . 0.0 110.207 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -117.82 -56.37 2.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -73.06 162.32 29.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.25 90.7 3.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.03 165.08 25.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 p -85.84 154.69 21.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -151.12 -63.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.293 -0.86 . . . . 0.0 110.884 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.816 0.341 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 p -78.59 128.98 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -109.35 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 p -120.85 -48.5 2.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -122.05 77.79 1.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 71.65 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD12 ' HG2' ' A' ' 75' ' ' GLU . 0.2 OUTLIER 59.99 92.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -76.28 167.98 20.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB3' ' CD2' ' A' ' 93' ' ' TYR . 0.3 OUTLIER -79.64 151.79 30.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.2 tt0 -176.83 127.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.785 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB1' HD22 ' A' ' 25' ' ' LEU . . . -145.63 -96.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.04 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.902 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 171.86 -74.83 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.678 0.275 . . . . 0.0 111.483 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.3 m -162.52 147.17 12.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.005 0.431 . . . . 0.0 111.539 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.813 ' HG ' HG22 ' A' ' 66' ' ' VAL . 1.4 tm? -82.89 139.27 33.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.905 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.726 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.6 mp -100.82 -56.99 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.811 179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.52 121.4 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.11 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -74.15 153.08 39.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mt -113.19 -29.12 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.461 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -154.29 -153.45 0.46 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.09 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.647 ' O ' HG21 ' A' ' 62' ' ' THR . . . -89.15 -36.16 7.76 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.282 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.54 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.4 p-10 -110.36 0.71 18.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.509 0.195 . . . . 0.0 111.112 179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.42 105.94 8.86 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.706 0.289 . . . . 0.0 110.706 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.852 HG12 ' HB1' ' A' ' 17' ' ' ALA . 30.5 m -134.48 150.22 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.258 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -90.7 106.88 18.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.828 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.3 OUTLIER -110.06 146.31 35.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.811 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.902 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.4 ttt -91.23 120.19 31.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 74.0 t80 -122.99 141.42 51.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.51 27.9 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.95 179.864 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.79 19.01 53.3 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.712 -0.756 . . . . 0.0 113.537 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.428 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 9.2 pt20 -136.94 135.96 38.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 117.149 0.474 . . . . 0.0 111.198 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.404 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -83.64 105.45 14.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.164 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.461 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.0 ptm -118.92 153.14 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.734 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 112.04 16.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE1' ' CG ' ' A' ' 32' ' ' MET . 21.6 m-85 -95.96 150.48 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.54 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -132.99 130.25 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 19.6 mt -59.06 120.18 8.66 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.913 0.387 . . . . 0.0 110.722 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.723 HD21 ' CB ' ' A' ' 118' ' ' ASN . 2.1 tt -76.28 136.25 39.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.558 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.632 ' HB3' HD13 ' A' ' 125' ' ' LEU . 13.9 mt 59.08 31.84 21.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.413 179.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.602 ' CG1' ' HB1' ' A' ' 109' ' ' ALA . 14.8 t -142.53 152.7 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.128 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.33 108.89 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.418 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.907 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -125.64 64.9 1.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.614 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 178.96 138.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -175.91 37.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.403 HG23 ' HA3' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -94.44 83.6 4.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.19 24.56 2.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.69 -28.14 7.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.062 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.05 38.49 3.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.933 0.397 . . . . 0.0 110.813 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -75.88 -49.0 19.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.38 -36.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.78 11.1 2.17 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 120.641 -0.79 . . . . 0.0 113.221 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.53 ' O ' HG12 ' A' ' 51' ' ' VAL . 9.2 t -144.91 31.43 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 117.055 0.427 . . . . 0.0 111.067 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.77 -31.44 70.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.93 31.19 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.758 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.48 41.4 12.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 44' ' ' THR . . . -77.75 -46.65 9.42 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.304 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.27 -48.23 52.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 0.0 110.998 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HG2' HD11 ' A' ' 108' ' ' LEU . 3.8 tt0 -59.85 -30.61 69.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.783 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.907 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -57.56 -47.29 82.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 24.8 p -65.5 -34.06 77.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.751 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.16 -47.18 80.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 11.8 t80 -58.57 -45.42 89.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.647 HG21 ' O ' ' A' ' 20' ' ' GLY . 24.4 m -74.5 -33.27 62.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.197 0.523 . . . . 0.0 110.62 179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -65.84 -52.26 51.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.43 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.5 OUTLIER -69.95 -36.11 75.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -179.668 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.57 -34.7 78.48 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.813 HG22 ' HG ' ' A' ' 14' ' ' LEU . 4.7 p -90.06 -30.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.937 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.71 -30.0 45.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.452 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -85.52 -39.68 17.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.105 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.917 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -63.88 84.23 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.404 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -46.1 -28.91 1.33 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.263 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.33 119.23 30.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.983 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.577 HD13 ' N ' ' A' ' 14' ' ' LEU . 2.3 mp -122.45 143.0 36.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.395 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 52.5 mt-10 -128.9 145.5 51.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.907 -179.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 11' ' ' ALA . 20.8 m -119.1 149.0 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.164 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.531 ' HG2' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -129.63 115.83 17.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.76 179.82 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.515 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 67.4 m-85 -91.32 147.09 23.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.055 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.98 -177.97 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.21 -21.23 50.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.224 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.19 -127.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 11.2 pm0 -100.75 148.07 25.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 2.9 ttt180 -93.42 -26.15 17.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.811 HG22 ' O ' ' A' ' 87' ' ' ARG . 11.1 p -137.53 110.29 7.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.557 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.795 ' HB3' HD11 ' A' ' 89' ' ' LEU . 2.3 p30 -69.2 65.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 48.31 28.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.357 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -133.46 15.17 4.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.278 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 53.19 23.1 15.95 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.684 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.811 ' O ' HG22 ' A' ' 82' ' ' THR . 43.0 mtm-85 -93.15 -177.88 4.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.17 73.24 0.21 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.569 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 83' ' ' ASP . 12.8 mt -55.88 114.05 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 0.0 110.822 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.515 ' HB2' ' CD1' ' A' ' 76' ' ' PHE . . . 179.82 166.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -81.78 142.04 32.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.693 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.409 HD11 ' HB3' ' A' ' 34' ' ' PHE . 25.7 mm -99.98 133.9 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.244 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.497 ' O ' HG23 ' A' ' 72' ' ' ILE . 68.2 m-85 -124.9 126.44 45.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.644 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.917 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -111.32 122.08 46.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 40.86 43.85 1.8 Allowed 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.875 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.2 18.19 72.38 Favored Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.11 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -121.39 144.68 48.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.71 0.29 . . . . 0.0 110.682 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.479 ' HB3' ' CG ' ' A' ' 101' ' ' GLU . 1.5 ttt -88.11 121.65 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.644 HG12 ' CD1' ' A' ' 103' ' ' LEU . 21.4 t -73.21 -40.09 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.601 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.629 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.3 p30 -61.72 -50.12 73.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.362 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.479 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.7 OUTLIER -65.03 -38.15 89.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.751 0.31 . . . . 0.0 110.856 -179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -65.84 -42.17 90.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.644 ' CD1' HG12 ' A' ' 99' ' ' VAL . 8.5 mt -68.12 -53.13 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 100' ' ' ASN . 31.4 t -62.57 -47.31 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt85 -59.96 -28.78 67.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.712 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -90.42 -28.01 18.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.767 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.818 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 102.52 44.76 1.77 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.427 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.668 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.2 mm? -118.79 -32.79 4.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.04 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.602 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -125.56 148.75 48.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.444 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -110.57 171.3 7.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.789 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.524 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.6 p -80.29 117.13 25.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.104 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.401 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -74.44 -167.45 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.973 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 113' ' ' TYR . 1.8 p90 -140.65 86.91 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.805 HG11 ' O ' ' A' ' 118' ' ' ASN . 10.0 p -65.92 160.12 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.035 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 114' ' ' VAL . 5.3 t80 -49.22 -54.92 14.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 pttt 171.55 -32.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -54.92 -60.39 8.82 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.859 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.805 ' O ' HG11 ' A' ' 114' ' ' VAL . 21.4 m-20 -75.89 82.27 2.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.94 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -136.23 58.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.9 m -116.26 -53.28 2.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -82.07 -0.46 44.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.503 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.558 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -46.22 -29.25 1.51 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.778 0.323 . . . . 0.0 111.481 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -70.44 -36.3 73.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.844 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.423 HD23 ' N ' ' A' ' 124' ' ' LEU . 1.6 mt -70.01 -50.06 45.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.632 HD13 ' HB3' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -64.99 -30.75 71.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.966 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -38.1 76.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -68.95 -48.52 62.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.3 t -63.31 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -70.55 -52.05 24.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.83 -43.65 90.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -61.08 -43.98 98.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.869 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -73.22 -27.81 61.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -75.21 -48.67 22.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 -179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -42.61 98.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.107 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -81.48 -22.74 37.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.481 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 61.65 63.58 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.988 0.423 . . . . 0.0 110.56 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 132' ' ' ALA . 4.5 mt -64.83 -77.1 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.358 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 71.0 m-20 -133.36 -76.48 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.242 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.818 HG23 ' O ' ' A' ' 107' ' ' GLY . 14.6 pt -50.76 -41.68 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.47 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.444 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 16.0 m95 -92.98 47.85 1.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.91 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 74.2 m -123.52 30.1 6.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.77 32.09 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -97.88 36.37 1.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -109.41 86.75 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -62.33 131.52 49.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.91 -44.43 63.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 67.6 m -105.11 153.68 21.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 136.98 -56.14 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.921 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.877 0.37 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 47.0 m -124.87 -68.54 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.74 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 48.8 m -144.48 -51.2 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.79 164.59 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 87.07 6.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.1 tp -158.15 37.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -97.86 104.01 16.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HB3' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -81.03 159.13 24.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 11.6 tt0 -177.6 132.01 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.809 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -149.88 -91.82 0.07 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 170.45 -73.93 0.0 OUTLIER 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 0.0 111.216 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.3 m -161.97 140.89 9.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.991 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -78.65 134.78 37.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.004 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' A' ' 26' ' ' MET . 7.5 mm -79.73 -56.73 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.11 118.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.687 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.71 ' HB1' HG12 ' A' ' 23' ' ' VAL . . . -73.19 140.76 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.286 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mm -113.41 -39.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.205 0.526 . . . . 0.0 110.082 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -139.09 151.24 46.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.18 179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -46.06 -30.77 4.04 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 121.085 -0.579 . . . . 0.0 113.144 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.499 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 5.7 p-10 -113.37 -1.1 14.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.685 0.242 . . . . 0.0 111.344 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.473 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -127.25 105.92 8.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.716 0.293 . . . . 0.0 110.493 179.767 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.71 HG12 ' HB1' ' A' ' 17' ' ' ALA . 29.1 m -138.69 142.19 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.311 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -84.88 115.8 22.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.386 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.74 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -115.04 140.84 48.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.02 0.438 . . . . 0.0 111.323 -179.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.4 ttm -90.5 107.53 19.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.432 179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 46.9 t80 -111.0 143.9 40.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.011 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.77 28.53 0.58 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.879 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.76 19.11 62.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.753 . . . . 0.0 113.07 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 1.9 pt20 -132.29 138.89 48.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.401 ' HB2' ' HE2' ' A' ' 26' ' ' MET . . . -85.65 118.58 25.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.177 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 4.7 ptm -136.06 153.09 51.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.6 m -80.44 112.75 18.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.703 ' CE2' HG21 ' A' ' 74' ' ' VAL . 14.3 m-85 -96.05 148.69 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -138.93 132.26 30.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 HG12 ' A' ' 92' ' ' ILE . 83.6 mt -62.33 129.42 40.64 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.785 0.326 . . . . 0.0 110.783 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.915 HD13 ' ND2' ' A' ' 118' ' ' ASN . 4.7 mt -85.72 139.4 31.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.775 HD11 ' HA ' ' A' ' 119' ' ' ASN . 30.7 mt 57.33 22.74 8.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.317 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 37' ' ' LEU . 35.0 t -133.06 150.44 32.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.071 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.47 108.44 6.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.964 179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.035 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.2 m -119.9 88.98 3.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 -179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 65.66 -178.2 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.723 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -165.63 -42.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.463 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 60.38 62.99 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.155 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 169.61 42.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -164.09 -48.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.2 71.6 0.34 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.985 0.421 . . . . 0.0 111.191 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -103.61 -50.24 3.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.355 179.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' HD2' ' CG ' ' A' ' 52' ' ' GLU . 0.0 OUTLIER 31.12 37.78 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.365 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.447 ' O ' ' CG1' ' A' ' 51' ' ' VAL . . . 110.86 41.28 1.21 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.428 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.619 HG23 ' N ' ' A' ' 55' ' ' GLY . 7.4 p 45.64 53.56 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 121.169 0.509 . . . . 0.0 111.453 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.407 ' CG ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -71.8 -30.76 65.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.983 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 30.8 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.811 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 83.3 m-85 60.92 45.9 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.619 ' N ' HG23 ' A' ' 51' ' ' VAL . . . -63.38 -58.31 11.96 Favored Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.673 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.26 -41.33 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 111.333 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG2' HD11 ' A' ' 108' ' ' LEU . 5.3 tt0 -55.51 -32.7 63.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.265 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.035 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -65.58 -48.13 73.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 83.2 p -61.09 -36.15 78.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.413 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.61 -47.15 86.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.454 ' CD1' ' CD2' ' A' ' 103' ' ' LEU . 10.9 t80 -56.78 -49.19 76.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.65 ' O ' HG13 ' A' ' 66' ' ' VAL . 80.5 m -74.06 -33.05 63.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.193 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.85 -43.45 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.4 -34.26 58.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.8 0.333 . . . . 0.0 111.469 -179.523 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.556 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.6 tpt -71.98 -33.88 68.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.424 -179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.714 ' HB ' HD13 ' A' ' 14' ' ' LEU . 32.1 m -79.0 -39.66 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.714 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.37 -34.74 48.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.263 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.41 -27.48 41.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.023 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -60.77 -40.41 92.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.27 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.5 mmtt 83.95 -30.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.99 122.88 31.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.503 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' H ' ' A' ' 14' ' ' LEU . 3.1 mp -122.03 134.55 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.044 0.449 . . . . 0.0 111.53 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 27.6 mt-10 -129.27 141.69 51.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.857 HG12 HD13 ' A' ' 92' ' ' ILE . 35.7 m -122.64 149.01 26.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.991 0.424 . . . . 0.0 111.442 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB1' ' A' ' 90' ' ' ALA . 12.5 tt0 -127.44 115.97 19.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.612 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' HB2' ' A' ' 90' ' ' ALA . 48.5 m-85 -89.76 119.26 30.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.09 -165.05 1.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -29.06 70.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -52.25 152.98 6.33 Favored Glycine 0 C--N 1.332 0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.607 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 136.83 49.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.776 0.322 . . . . 0.0 111.08 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG2' ' CD1' ' A' ' 76' ' ' PHE . 2.7 mtt180 -60.51 -30.28 69.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 p -142.26 111.68 6.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.606 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.653 ' HB3' HD11 ' A' ' 89' ' ' LEU . 22.2 p30 -74.6 62.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp 47.19 28.91 1.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.352 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.39 16.07 5.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.49 20.09 29.17 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.586 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -102.93 167.83 9.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.39 81.09 0.28 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.522 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.653 HD11 ' HB3' ' A' ' 83' ' ' ASP . 21.2 mt -56.63 120.7 8.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.588 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 172.03 167.17 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -85.12 139.79 31.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.857 HD13 HG12 ' A' ' 74' ' ' VAL . 22.8 mm -101.39 140.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CD1' ' HB3' ' A' ' 9' ' ' LYS . 45.0 m-85 -131.7 126.15 33.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -106.03 121.4 44.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.4 t0 40.92 44.03 1.88 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.918 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 80.81 17.5 72.58 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.154 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.516 ' HE3' ' HE1' ' A' ' 65' ' ' MET . 0.2 OUTLIER -119.32 138.06 53.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.779 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.435 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.4 OUTLIER -80.08 117.84 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.614 HG11 HG23 ' A' ' 62' ' ' THR . 21.4 t -73.05 -38.77 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.176 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.493 ' CB ' HG21 ' A' ' 39' ' ' VAL . 5.6 p-10 -66.46 -50.06 64.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -65.81 -44.5 85.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.47 79.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.503 HD11 ' OG1' ' A' ' 62' ' ' THR . 17.1 mt -69.89 -52.86 21.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 100' ' ' ASN . 43.7 t -65.29 -39.5 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.769 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 13.7 ttm-85 -66.62 -26.28 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -94.65 -28.09 15.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.801 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.885 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 105.94 43.89 1.47 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.59 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 58' ' ' ALA . 4.6 mm? -123.52 -24.52 4.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.69 0.281 . . . . 0.0 111.305 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.437 ' HB1' ' CG1' ' A' ' 39' ' ' VAL . . . -126.76 153.15 45.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.865 0.364 . . . . 0.0 111.184 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.87 179.93 4.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.799 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 HG23 ' CD ' ' A' ' 129' ' ' GLU . 22.0 t -80.26 118.97 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.29 -167.44 1.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -128.62 129.91 46.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.702 HG11 ' HB3' ' A' ' 118' ' ' ASN . 11.9 p -95.14 0.24 10.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.566 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 74.16 -60.71 0.52 Allowed 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.91 155.49 2.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.876 0.369 . . . . 0.0 110.956 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.56 -41.29 2.2 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.537 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.915 ' ND2' HD13 ' A' ' 37' ' ' LEU . 11.0 t-20 -101.74 -142.25 0.35 Allowed 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.775 ' HA ' HD11 ' A' ' 38' ' ' LEU . 2.0 t-20 77.69 39.0 0.19 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.913 0.387 . . . . 0.0 110.789 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.9 m -95.73 -38.1 10.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.777 ' O ' HD12 ' A' ' 125' ' ' LEU . 97.0 m-70 -109.78 19.2 19.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.45 ' HA ' HD13 ' A' ' 125' ' ' LEU . 3.2 tp10 -47.81 -32.6 6.24 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.313 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 127' ' ' LYS . 4.9 pt20 -62.07 -49.71 74.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 25.7 mt -53.76 -50.07 66.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 111.164 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 121' ' ' HIS . 3.7 mp -61.49 -27.59 68.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -40.53 61.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -58.45 -48.64 80.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.944 0.402 . . . . 0.0 110.819 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.81 -36.2 80.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.526 ' CD ' HG23 ' A' ' 111' ' ' VAL . 5.0 tt0 -69.81 -45.08 68.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -43.23 93.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.91 -45.24 95.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.94 63.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.262 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.418 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -77.69 -51.02 11.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -58.33 -43.22 88.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -90.21 -16.3 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.56 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.14 69.48 0.67 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.928 0.394 . . . . 0.0 110.598 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 137' ' ' LEU . 12.8 mt -67.1 -77.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.388 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 m-80 -128.29 -80.26 0.58 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.317 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.885 HG23 ' O ' ' A' ' 107' ' ' GLY . 18.0 pt -52.38 -38.05 24.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.597 -179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 18.6 m95 -92.98 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.215 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.7 t -121.83 33.91 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.14 30.28 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.996 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.98 -77.22 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -177.29 160.95 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -175.58 -50.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.102 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -105.21 133.79 49.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.31 -31.45 14.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -82.1 -66.23 1.59 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.467 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.897 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.789 0.328 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.2 p -132.21 -62.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -135.54 130.13 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.0 p -90.37 117.11 28.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -95.84 -179.83 4.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.05 -66.16 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.5 mt -79.87 137.34 36.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -109.75 143.04 40.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.001 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -85.48 159.45 19.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.834 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.9 tp10 -127.54 -138.19 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.552 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.949 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 74.73 -142.28 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.226 0 O-C-N 122.365 -0.209 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . 170.63 -67.81 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.755 0.312 . . . . 0.0 111.417 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 26' ' ' MET . 18.4 m -142.99 143.05 31.77 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.117 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.646 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.4 tm? -98.56 118.11 34.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.794 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.637 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.6 mp -69.96 -59.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.713 179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -177.57 137.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.019 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.796 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -71.95 153.08 42.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.137 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.49 -50.71 6.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.432 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -150.68 69.59 0.98 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 111.596 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.896 ' O ' HG21 ' A' ' 62' ' ' THR . . . 63.01 -78.62 0.03 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.934 -0.65 . . . . 0.0 113.151 179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.484 ' OD1' HD12 ' A' ' 36' ' ' LEU . 76.1 m-20 -80.33 -28.14 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.717 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.3 m -90.74 112.28 23.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.395 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.796 HG12 ' CB ' ' A' ' 17' ' ' ALA . 31.2 m -142.14 141.72 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.394 -179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -85.02 106.98 16.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.497 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.473 ' HB3' ' CD1' ' A' ' 34' ' ' PHE . 0.4 OUTLIER -110.05 127.73 55.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 10.0 ttt -75.04 100.68 4.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.448 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 14.2 t80 -101.84 131.68 48.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.806 -179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.41 28.64 0.32 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.752 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 91.12 19.0 44.2 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.643 -0.789 . . . . 0.0 113.264 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -134.49 123.13 23.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.833 0.349 . . . . 0.0 111.018 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.58 96.05 4.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.013 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.434 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptp -108.82 153.15 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 m -79.85 113.34 17.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.783 ' CE2' HG21 ' A' ' 74' ' ' VAL . 12.3 m-85 -95.83 142.73 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -128.47 117.08 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.675 179.855 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD12 ' OD1' ' A' ' 21' ' ' ASP . 17.2 mt -52.34 124.55 13.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.694 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.1 mt -82.3 135.99 35.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.46 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.731 HD11 ' O ' ' A' ' 118' ' ' ASN . 8.3 mt 62.11 24.79 14.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.658 179.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 37' ' ' LEU . 22.5 t -133.24 154.35 39.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.353 . . . . 0.0 110.978 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' N ' HG12 ' A' ' 39' ' ' VAL . 2.6 m-20 -142.02 108.87 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.781 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.936 HG22 ' CB ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -117.73 58.7 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.794 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 164.55 102.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.715 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -132.8 52.53 2.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.019 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.492 HG23 ' HE2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -81.24 87.91 6.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.7 24.19 4.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.022 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -113.86 -25.46 8.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.42 38.5 2.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 41.2 tttt -79.24 -49.12 12.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.76 -37.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 143.32 -11.28 2.26 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.59 -0.814 . . . . 0.0 113.02 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 51' ' ' VAL . 12.0 t -130.39 26.37 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.907 0.354 . . . . 0.0 111.363 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HZ1' ' HA3' ' A' ' 55' ' ' GLY . 0.0 OUTLIER -125.66 32.39 5.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.851 179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 65.1 m-85 61.46 45.74 8.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA3' ' HZ1' ' A' ' 53' ' ' LYS . . . -74.31 -44.86 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.477 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.14 75.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -78.01 -30.91 50.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.936 ' CB ' HG22 ' A' ' 41' ' ' THR . . . -58.24 -52.15 66.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.069 0.461 . . . . 0.0 110.806 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 56.3 p -70.25 -41.34 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.611 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . . . -58.51 -35.9 72.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.121 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 9.6 t80 -74.24 -35.61 63.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.072 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.896 HG21 ' O ' ' A' ' 20' ' ' GLY . 88.8 m -74.07 -36.54 64.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.43 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 60' ' ' ALA . 4.6 ptpt -72.28 -37.99 68.89 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -74.11 -37.62 64.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.696 0.284 . . . . 0.0 111.14 -179.744 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 15.0 ttm -68.96 -32.58 72.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.606 HG22 ' O ' ' A' ' 62' ' ' THR . 32.7 m -87.91 -46.3 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.343 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.509 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.7 mm-40 -59.46 -26.66 65.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.667 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -90.32 -40.88 11.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.452 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.88 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -67.51 84.13 0.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.553 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mmtm -46.71 -29.76 2.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.279 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.35 119.12 32.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.307 179.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.646 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.3 mp -122.57 129.32 75.31 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.818 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 6.2 mt-10 -117.71 157.58 26.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.97 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.949 HG22 ' HB2' ' A' ' 11' ' ' ALA . 31.3 m -140.01 148.15 23.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.342 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -127.67 118.54 24.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.644 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 81' ' ' ARG . 45.0 m-85 -82.12 147.05 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.086 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -92.47 -165.21 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.07 -26.15 12.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.817 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.21 -99.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.7 tt0 -107.17 133.72 51.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 76' ' ' PHE . 20.2 ttm105 -100.05 -19.82 16.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.986 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 87' ' ' ARG . 19.5 p -149.92 116.54 5.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.566 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 49.4 t0 -70.78 63.43 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.365 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt 45.49 29.88 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.549 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -136.8 16.34 3.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.241 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.59 20.59 24.79 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.69 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.479 ' O ' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.91 -170.99 3.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.74 0.305 . . . . 0.0 110.87 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -119.09 68.61 0.35 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.569 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.493 HD12 ' HG2' ' A' ' 80' ' ' GLN . 9.6 mt -55.23 116.45 2.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.836 0.35 . . . . 0.0 110.723 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.675 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 179.16 167.07 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.157 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -81.47 142.11 33.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.677 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.645 HD13 HG12 ' A' ' 74' ' ' VAL . 16.1 mm -102.3 141.38 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.064 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 63.8 m-85 -131.96 123.91 28.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.549 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.88 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.97 119.07 38.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.096 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 40.83 43.9 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.87 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.98 16.95 71.05 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.185 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.04 139.36 52.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.666 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 73.8 mtp -82.91 119.5 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.8 t -73.06 -42.28 59.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.042 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.681 ' O ' HG23 ' A' ' 104' ' ' VAL . 6.1 p30 -58.32 -41.22 84.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.718 ' CD ' HD13 ' A' ' 124' ' ' LEU . 3.8 mt-10 -73.79 -42.87 60.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -59.1 -41.48 88.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' CD1' HG12 ' A' ' 99' ' ' VAL . 7.3 mt -69.81 -52.97 20.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.123 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.4 t -64.28 -45.26 96.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -60.55 -31.42 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.702 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.23 -27.94 24.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.795 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.851 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.2 41.81 2.17 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.375 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.585 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.6 mp -123.03 -26.37 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.667 0.27 . . . . 0.0 111.43 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -123.12 149.54 44.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -176.79 3.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' HB ' ' CZ ' ' A' ' 113' ' ' TYR . 14.2 t -84.19 118.2 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 39' ' ' VAL . . . -70.5 -27.81 64.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.373 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.437 ' CZ ' ' HB ' ' A' ' 111' ' ' VAL . 68.7 m-85 64.4 103.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.57 HG11 ' HB3' ' A' ' 118' ' ' ASN . 16.9 t -111.8 113.43 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.175 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -101.78 30.25 4.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.442 ' H ' HG12 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -110.39 -31.05 7.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.11 -28.56 0.27 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.556 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.731 ' O ' HD11 ' A' ' 38' ' ' LEU . 6.3 t-20 -64.61 81.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.962 0.411 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -139.22 45.81 1.95 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 21.8 m -92.21 -52.68 4.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.414 ' HB3' HD21 ' A' ' 124' ' ' LEU . 52.1 m80 -95.35 19.29 11.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.682 ' HA ' HD12 ' A' ' 125' ' ' LEU . 2.5 tp10 -60.64 -15.96 33.79 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.47 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -76.46 -50.38 14.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.254 -179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.718 HD13 ' CD ' ' A' ' 101' ' ' GLU . 3.6 pp -70.13 -33.99 72.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.704 0.288 . . . . 0.0 110.984 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.4 mt -64.51 -52.01 60.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.839 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -62.99 -31.1 72.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.58 -43.79 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -70.78 -40.96 72.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' OE1' HG21 ' A' ' 111' ' ' VAL . 1.4 tt0 -66.53 -35.85 81.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.78 70.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.051 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -60.83 -35.91 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -76.4 -29.61 57.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -70.89 -51.2 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -29.36 67.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.18 -22.63 33.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.179 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 57.63 52.45 8.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.676 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.415 HD12 ' CB ' ' A' ' 132' ' ' ALA . 58.3 mt -59.74 -77.31 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.22 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.432 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 57.0 m-20 -135.29 -76.36 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.191 -179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.851 HG23 ' O ' ' A' ' 107' ' ' GLY . 13.2 pt -50.91 -39.18 18.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.456 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.439 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.8 m95 -97.08 31.7 2.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 25.0 p -114.4 30.28 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -142.56 31.66 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -152.53 76.52 1.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -73.98 152.72 39.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -72.17 79.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.89 173.38 4.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.2 t -78.52 93.6 4.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 106.04 130.15 6.53 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.899 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.814 0.34 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 t -115.03 105.85 13.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -75.87 120.08 20.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 p -125.6 53.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.37 -40.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.19 -24.04 59.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.657 HD11 ' HE3' ' A' ' 98' ' ' MET . 7.9 tt 64.45 103.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -123.0 114.88 21.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 159.17 15.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.605 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.419 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 4.0 tt0 -171.04 128.92 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.005 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.664 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -146.23 -89.94 0.09 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.856 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.9 -81.74 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.594 0.235 . . . . 0.0 111.116 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.3 m -149.76 144.54 26.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD22 ' N ' ' A' ' 15' ' ' ILE . 1.4 tm? -98.16 119.22 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.855 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 ' N ' HD22 ' A' ' 14' ' ' LEU . 3.8 mp -72.63 -58.76 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.745 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -174.27 144.04 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.083 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.795 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.66 153.03 28.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.03 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.9 mm -109.9 -44.81 6.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.348 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -155.11 53.23 0.63 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.25 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.746 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.5 -65.95 0.41 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.838 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -82.64 -32.4 28.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.893 0.378 . . . . 0.0 110.546 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 HG23 ' HG2' ' A' ' 35' ' ' ARG . 0.6 OUTLIER -97.82 105.87 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.405 179.625 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.795 HG12 ' CB ' ' A' ' 17' ' ' ALA . 34.1 m -132.92 147.24 31.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.555 -179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -88.02 106.86 18.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.324 179.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.732 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -110.3 132.09 54.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.199 -179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.856 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.2 ttm -83.04 98.9 9.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.692 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 39.3 t80 -104.65 141.66 36.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 44.83 27.93 0.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.922 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.21 19.05 54.36 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.702 -0.761 . . . . 0.0 113.475 179.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.44 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.8 pt20 -137.43 132.82 33.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.096 0.448 . . . . 0.0 111.212 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -82.52 97.89 8.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.446 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.1 ptm -108.61 153.09 23.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -79.98 111.9 16.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.605 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.7 m-85 -96.0 138.06 34.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' HG2' HG23 ' A' ' 22' ' ' THR . 2.8 mtp180 -123.33 125.31 44.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.107 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.742 HD22 HG12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -56.62 115.7 2.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.966 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' CD2' HD22 ' A' ' 89' ' ' LEU . 3.2 mt -76.15 136.95 39.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.232 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.795 HD11 ' O ' ' A' ' 118' ' ' ASN . 36.4 mt 56.15 22.34 5.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.23 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 37' ' ' LEU . 47.2 t -137.99 143.33 33.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.414 ' O ' ' HA ' ' A' ' 109' ' ' ALA . 2.9 m-20 -128.1 108.74 10.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.813 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.803 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -108.56 81.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.048 -179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . . . 64.06 178.62 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.455 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -177.01 36.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.721 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.485 HG22 ' HD2' ' A' ' 48' ' ' LYS . 20.7 p -99.76 80.81 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 28.45 6.97 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.066 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -162.95 28.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.3 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m 64.74 72.71 0.44 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 110.708 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HD2' HG22 ' A' ' 44' ' ' THR . 3.8 tttp -50.93 -58.08 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.153 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.26 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.27 58.44 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.476 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.849 ' O ' HG12 ' A' ' 51' ' ' VAL . 5.4 t 46.93 60.48 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-O 121.673 0.749 . . . . 0.0 110.713 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.95 -28.2 63.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.003 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.59 41.32 3.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.844 0.354 . . . . 0.0 110.934 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' HA ' HG13 ' A' ' 51' ' ' VAL . 77.9 m-85 57.88 40.63 25.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.766 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.451 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -59.32 -37.95 92.64 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.833 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.57 ' H ' HG22 ' A' ' 51' ' ' VAL . . . -77.27 -50.62 12.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 0.0 111.112 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.045 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.803 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -66.37 -47.74 72.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -71.29 -40.54 70.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.061 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 64' ' ' LYS . . . -61.79 -47.34 85.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.441 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.724 ' HD2' HD22 ' A' ' 108' ' ' LEU . 2.5 t80 -60.92 -45.92 92.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.039 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.746 HG21 ' O ' ' A' ' 20' ' ' GLY . 57.5 m -73.59 -33.06 64.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.11 -44.59 62.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -75.94 -32.41 59.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.064 -179.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.599 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 13.7 ttt -70.78 -31.18 67.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.051 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 62' ' ' THR . 32.6 m -86.95 -45.57 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.356 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 66' ' ' VAL . 4.3 mm-40 -68.62 -23.85 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 21.8 t30 -94.98 -33.1 12.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.225 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.599 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -53.6 -45.85 70.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.412 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 0.3 OUTLIER 85.77 -31.51 0.05 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.766 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' C ' HD12 ' A' ' 72' ' ' ILE . 2.2 ttmm -126.39 119.68 27.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.406 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.732 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.19 140.25 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 0.0 111.509 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' HB3' ' N ' ' A' ' 10' ' ' GLU . 1.4 mp0 -135.28 147.15 49.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.551 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG22 ' HB2' ' A' ' 11' ' ' ALA . 27.4 m -126.16 148.94 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 111.265 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -129.52 115.94 18.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.64 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' A' ' 90' ' ' ALA . 51.6 m-85 -88.07 134.47 33.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.948 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -82.62 -167.25 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -95.55 20.12 10.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.417 ' HA3' ' N ' ' A' ' 118' ' ' ASN . . . -100.43 -118.33 4.23 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.607 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -102.36 151.75 21.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.402 . . . . 0.0 111.015 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 3.7 ttm180 -104.16 -28.13 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.778 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.711 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.6 p -142.6 112.51 6.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.647 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.791 ' HB2' HD11 ' A' ' 89' ' ' LEU . 30.7 t0 -73.46 62.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.264 -179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.61 29.47 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.484 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -134.1 20.51 3.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.234 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 52.61 24.69 18.95 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.643 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.711 ' O ' HG22 ' A' ' 82' ' ' THR . 29.6 mmt180 -96.74 176.03 6.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.08 77.99 0.24 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.791 HD11 ' HB2' ' A' ' 83' ' ' ASP . 13.7 mt -56.56 116.36 3.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.703 0.287 . . . . 0.0 110.8 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 178.3 166.99 0.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.9 m-85 -82.81 142.0 31.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.742 HG12 HD22 ' A' ' 36' ' ' LEU . 27.5 mm -101.08 135.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.041 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' A' ' 7' ' ' LEU . 37.3 m-85 -131.78 124.97 30.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 97' ' ' LYS . . . -107.93 128.23 54.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.2 t70 40.8 43.91 1.78 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.843 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.27 21.89 77.0 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.815 -0.707 . . . . 0.0 113.066 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 94' ' ' ALA . 7.5 tptt -120.17 140.72 50.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.836 0.351 . . . . 0.0 110.691 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.657 ' HE3' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -78.4 120.13 22.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.657 HG12 ' CD1' ' A' ' 103' ' ' LEU . 37.8 t -73.11 -43.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.985 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.753 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.6 p-10 -57.65 -48.83 78.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.072 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.46 -48.26 80.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.062 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.528 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.657 ' CD1' HG12 ' A' ' 99' ' ' VAL . 6.6 mt -66.58 -53.22 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.325 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 100' ' ' ASN . 22.3 t -63.27 -39.87 86.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.144 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.711 ' O ' HD13 ' A' ' 137' ' ' LEU . 49.5 mtp85 -70.21 -32.03 69.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.707 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -85.26 -25.64 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.798 ' C ' HD12 ' A' ' 108' ' ' LEU . . . 99.37 56.99 0.96 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.798 HD12 ' C ' ' A' ' 107' ' ' GLY . 9.0 mp -137.43 -44.94 0.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.989 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -106.23 128.62 54.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.28 -159.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 111' ' ' VAL . 12.9 p -113.08 117.45 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.791 0.329 . . . . 0.0 111.233 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.04 166.06 19.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.91 89.08 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.677 HG12 HD21 ' A' ' 38' ' ' LEU . 10.6 p -69.13 -46.43 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.506 ' N ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER 52.43 56.22 8.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.013 -179.834 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -141.9 -44.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.102 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 174.26 -29.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.824 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.795 ' O ' HD11 ' A' ' 38' ' ' LEU . 15.6 m120 -62.29 80.3 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.964 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -135.38 49.37 2.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.2 m -94.53 -31.34 13.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.822 ' O ' HD12 ' A' ' 125' ' ' LEU . 8.6 m80 -125.1 19.2 8.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.235 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.35 -26.41 40.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -74.54 -33.88 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' A' ' 121' ' ' HIS . 12.5 mt -68.06 -49.99 57.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.958 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.822 HD12 ' O ' ' A' ' 121' ' ' HIS . 1.9 mp -65.5 -39.77 92.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.28 -38.43 80.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -35.81 63.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.1 t -65.52 -33.92 77.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.23 -47.76 40.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.657 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.8 -47.84 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.376 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -64.0 -46.96 82.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.461 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -66.78 -34.51 77.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.829 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -80.45 -31.49 37.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.681 179.647 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -28.43 44.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.645 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -101.27 -18.14 16.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.465 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.04 68.35 0.78 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.888 0.375 . . . . 0.0 110.593 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.711 HD13 ' O ' ' A' ' 105' ' ' ARG . 5.0 mt -73.89 -61.91 1.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.365 -179.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 13.9 m120 -146.23 -81.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.37 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.602 HG23 ' O ' ' A' ' 107' ' ' GLY . 9.4 pt -48.36 -41.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.185 0 CA-C-N 116.477 -0.328 . . . . 0.0 111.591 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 21.2 m95 -92.17 15.56 13.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.376 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.1 m -98.42 36.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.27 27.34 3.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -94.99 150.15 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -96.54 116.91 29.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.84 -65.17 1.04 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.049 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.72 156.03 23.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.6 p -140.57 156.26 46.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.75 -153.64 9.28 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.257 -0.877 . . . . 0.0 110.829 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 m 60.5 35.2 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.0 p -73.1 -46.22 52.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -96.18 149.82 21.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt -110.67 128.2 55.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.1 72.76 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -110.04 -25.69 10.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.91 167.95 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.038 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.22 158.96 27.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.693 179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.541 ' O ' HG22 ' A' ' 74' ' ' VAL . 4.7 tt0 -174.84 123.67 0.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.286 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.624 ' HB2' HG13 ' A' ' 74' ' ' VAL . . . -143.45 -90.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.747 179.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.888 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 164.23 -79.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.672 0.272 . . . . 0.0 111.344 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.839 ' O ' HD23 ' A' ' 25' ' ' LEU . 18.8 m -149.59 145.65 26.9 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.961 0.41 . . . . 0.0 111.389 -179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.777 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -95.87 119.57 34.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.274 179.62 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.593 ' N ' HD22 ' A' ' 14' ' ' LEU . 2.9 mp -78.81 -55.46 9.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.15 139.7 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.183 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 63' ' ' LYS . . . -84.47 149.86 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.51 HG22 ' OD1' ' A' ' 19' ' ' ASP . 11.6 mm -105.41 -64.08 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.506 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.51 ' OD1' HG22 ' A' ' 18' ' ' ILE . 7.5 m-20 -144.17 48.92 1.37 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.451 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' HA2' ' CB ' ' A' ' 62' ' ' THR . . . 70.12 -63.28 0.75 Allowed Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.941 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 11.9 p30 -82.68 -7.13 59.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.823 0.344 . . . . 0.0 110.522 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.4 m -127.7 105.9 8.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.601 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' HA ' ' A' ' 17' ' ' ALA . 2.1 p -138.01 139.03 43.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.02 108.21 17.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.798 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.839 HD23 ' O ' ' A' ' 13' ' ' THR . 0.3 OUTLIER -112.5 126.29 55.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.888 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.0 ttt -74.9 95.54 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.596 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.0 t80 -98.78 147.69 24.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.761 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.0 OUTLIER 45.12 27.83 0.35 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.899 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.45 18.96 63.09 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 113.597 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 12.8 pt20 -135.9 133.87 38.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.071 0.435 . . . . 0.0 111.166 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.0 99.4 3.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.25 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.451 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 27.6 ptm -114.94 153.4 30.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.651 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' HD3' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -79.59 109.2 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.002 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CE2' HG11 ' A' ' 74' ' ' VAL . 12.7 m-85 -95.95 143.43 27.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 51.4 mtp180 -127.24 140.9 51.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.465 179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -69.32 127.53 33.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.885 -179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.848 HD21 ' HB3' ' A' ' 118' ' ' ASN . 1.9 tt -78.45 127.32 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.621 -179.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.869 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 23.7 mt 62.46 31.0 17.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.818 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.842 HG12 ' HB1' ' A' ' 109' ' ' ALA . 2.2 t -145.27 144.88 21.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.12 108.98 6.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.041 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -104.81 65.82 0.76 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 172.59 110.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.85 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.79 31.84 4.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.05 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.86 79.15 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.807 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.34 23.59 7.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.095 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.76 -163.8 1.58 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.973 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.05 43.83 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.96 -57.71 11.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.783 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.869 ' HD2' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -173.39 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.04 179.889 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.54 0.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.512 -0.852 . . . . 0.0 113.0 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.869 HG12 ' HD2' ' A' ' 49' ' ' LYS . 11.3 p -118.52 21.47 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.812 0.339 . . . . 0.0 111.388 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -52.38 -31.16 32.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.042 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -142.35 29.4 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 58' ' ' ALA . 95.8 m-85 61.14 34.03 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -65.94 -51.53 44.93 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.363 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.0 -47.37 65.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 0.0 110.91 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.579 ' HG2' HD11 ' A' ' 108' ' ' LEU . 4.5 tt0 -60.75 -32.02 71.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.705 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.041 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -55.92 -49.14 74.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.16 -37.26 78.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.592 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 64' ' ' LYS . . . -58.06 -39.99 79.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.224 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.55 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.1 t80 -71.45 -40.86 70.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 66' ' ' VAL . 53.6 m -74.0 -35.99 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.887 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.664 ' HB3' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -72.15 -39.39 68.79 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.25 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 60' ' ' ALA . 0.0 OUTLIER -76.06 -35.63 59.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.697 0.284 . . . . 0.0 111.194 -179.679 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.581 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.3 ttt -71.41 -36.05 71.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.968 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.66 HG22 ' O ' ' A' ' 62' ' ' THR . 33.5 m -79.14 -37.12 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.694 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.0 -35.07 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.245 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -80.89 -25.92 37.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.138 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.925 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -60.79 -37.49 82.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.156 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 15.4 mttt 85.12 -29.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.488 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.77 121.57 33.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.985 0.421 . . . . 0.0 110.997 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.817 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.7 mp -122.55 127.35 74.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.661 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.5 mt-10 -127.28 150.53 49.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.646 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.652 HG11 ' CE2' ' A' ' 34' ' ' PHE . 32.0 m -121.04 149.06 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.283 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.19 115.94 14.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.655 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 51.8 m-85 -92.1 147.02 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.0 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.5 -165.46 1.32 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.784 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -88.92 8.68 28.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.401 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -92.7 -152.32 28.86 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.51 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.737 ' O ' HD11 ' A' ' 89' ' ' LEU . 4.8 pt20 -82.52 138.02 34.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.947 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 28.6 ttt85 -71.49 -29.1 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.951 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.673 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.9 p -130.89 106.14 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.7 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.747 ' HB2' HD23 ' A' ' 89' ' ' LEU . 1.1 t70 -70.05 64.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 15.0 mttt 47.33 29.71 1.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.338 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -125.58 12.96 8.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.317 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.94 21.2 29.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.56 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 82' ' ' THR . 0.1 OUTLIER -116.19 173.03 6.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.925 0.393 . . . . 0.0 110.934 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.16 78.97 0.25 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.219 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.875 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.4 pp -58.28 143.08 45.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.989 0.423 . . . . 0.0 110.918 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.42 167.39 0.63 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.678 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.427 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 96.5 m-85 -79.31 129.97 34.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.8 0.333 . . . . 0.0 110.432 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG22 HG21 ' A' ' 99' ' ' VAL . 22.4 mm -99.77 133.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.277 -179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.454 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 10.8 m-85 -132.09 131.36 42.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.644 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.925 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -112.01 134.97 53.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB2' ' HB1' ' A' ' 69' ' ' ALA . 11.3 t0 40.78 43.17 1.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.899 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.13 24.85 74.85 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.971 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -123.75 154.43 39.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.698 0.285 . . . . 0.0 110.621 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 1.8 mtt -85.63 112.4 20.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG21 HG22 ' A' ' 92' ' ' ILE . 24.8 t -68.36 -43.56 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.973 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 8.6 p-10 -59.28 -48.98 79.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.963 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -62.46 -42.79 99.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.55 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.77 -54.06 51.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.386 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 41' ' ' THR . 6.2 mt -58.76 -53.11 62.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.241 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 100' ' ' ASN . 27.4 t -63.73 -40.27 88.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.307 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -69.39 -26.5 64.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.75 -25.65 16.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.695 ' O ' HD22 ' A' ' 108' ' ' LEU . . . 101.52 60.37 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.327 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 58' ' ' ALA . 3.5 mm? -135.19 -42.72 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.761 0.315 . . . . 0.0 110.993 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.842 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -112.71 148.72 34.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.911 0.386 . . . . 0.0 111.222 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.429 ' CB ' ' CZ2' ' A' ' 140' ' ' TRP . 0.0 OUTLIER -105.46 -167.82 1.38 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.577 179.782 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.405 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.8 t -102.6 118.76 49.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 111.42 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.869 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -62.69 -164.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -150.12 78.95 1.35 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.65 HG23 HD23 ' A' ' 38' ' ' LEU . 42.4 t -71.77 157.8 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.992 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.477 ' N ' HG12 ' A' ' 114' ' ' VAL . 78.0 m-85 -63.48 -51.62 64.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.26 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.045 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -50.8 -55.63 17.1 Favored Glycine 0 C--N 1.33 0.235 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.863 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.848 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 m120 -91.69 86.97 6.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.289 . . . . 0.0 110.819 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -154.92 55.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 54.8 m -103.1 -39.29 6.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.71 ' HB3' HD12 ' A' ' 124' ' ' LEU . 24.3 m-70 -105.22 18.63 21.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.308 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.67 -27.02 6.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.746 0.308 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -66.04 -40.26 90.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.71 HD12 ' HB3' ' A' ' 121' ' ' HIS . 26.2 mt -68.81 -39.64 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 125' ' ' LEU . 2.9 mm? -69.14 -36.53 77.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -73.87 -40.46 63.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -50.67 70.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.2 t -64.52 -37.68 88.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.405 ' CG ' HG23 ' A' ' 111' ' ' VAL . 1.7 tt0 -72.17 -44.94 62.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.23 -41.2 83.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -67.69 -39.05 84.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.401 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -75.45 -34.62 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.005 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.2 OUTLIER -71.03 -51.14 27.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -61.48 -41.44 97.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.91 -22.36 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.23 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt 63.21 62.41 0.99 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.935 0.397 . . . . 0.0 110.685 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.401 HD12 ' CB ' ' A' ' 132' ' ' ALA . 5.5 mt -61.07 -75.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.056 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 9.8 m120 -136.99 -79.56 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.124 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 18.6 pt -48.65 -34.39 5.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.885 0.374 . . . . 0.0 111.391 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.429 ' CZ2' ' CB ' ' A' ' 110' ' ' LYS . 15.3 m95 -97.31 28.53 3.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.11 29.64 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.872 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -175.33 37.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -95.03 128.79 42.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -176.62 164.71 2.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -75.94 -48.3 21.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -115.95 146.47 42.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.9 m -100.23 -37.37 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.53 -160.61 10.58 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.829 0.347 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.64 31.56 20.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.44 -55.55 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.39 108.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.811 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -69.79 -33.53 72.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 tttp 59.84 77.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 tp -151.86 26.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -123.1 150.45 43.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 73' ' ' GLU . 9.0 pttm -93.88 148.16 22.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' N ' ' HB3' ' A' ' 73' ' ' GLU . 5.4 tt0 -171.92 128.57 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.929 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . -152.37 -95.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 168.95 -79.55 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.704 0.288 . . . . 0.0 111.11 179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.5 m -150.08 146.2 26.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.886 0.374 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.2 tm? -98.32 116.57 30.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.685 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.618 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.5 mp -67.06 -59.08 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.759 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -178.62 144.27 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.804 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.4 150.89 35.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 23.8 mm -109.19 -45.08 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.386 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.8 71.0 0.66 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.788 0.328 . . . . 0.0 111.511 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.885 ' O ' HG21 ' A' ' 62' ' ' THR . . . 62.14 -78.14 0.02 OUTLIER Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.318 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -80.97 -30.02 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 110.924 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.9 m -89.39 112.97 24.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG12 ' CB ' ' A' ' 17' ' ' ALA . 30.6 m -142.45 144.34 24.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.386 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -86.52 106.68 17.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.568 179.641 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' ' 11' ' ' ALA . 0.4 OUTLIER -111.1 131.63 54.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.916 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 3.0 ttm -80.14 100.38 8.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.607 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 42.7 t80 -105.48 142.03 35.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 44.7 27.9 0.29 Allowed 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.933 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 88.24 18.96 54.53 Favored Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.599 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 2.2 pt20 -137.66 133.23 34.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 117.057 0.428 . . . . 0.0 111.234 179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -80.85 100.79 9.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.175 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 23.0 ptm -114.95 150.65 35.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.738 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 m -79.96 113.99 18.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.61 ' CE2' HG21 ' A' ' 74' ' ' VAL . 16.8 m-85 -95.89 158.18 15.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 -139.0 122.42 17.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.983 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.15 118.89 5.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.727 HD22 ' OD1' ' A' ' 118' ' ' ASN . 5.4 mt -80.12 142.31 34.93 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.481 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD13 HD13 ' A' ' 125' ' ' LEU . 16.0 mt 55.24 25.06 6.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.342 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.854 HG21 HD22 ' A' ' 36' ' ' LEU . 24.4 t -139.03 143.88 30.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.045 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.78 108.94 13.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.598 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.798 ' CG2' ' HB1' ' A' ' 58' ' ' ALA . 5.9 m -117.37 84.55 2.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.02 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 69.4 164.95 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.31 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -174.95 53.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.702 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.744 HG22 ' HD3' ' A' ' 48' ' ' LYS . 71.4 p -63.91 99.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 28.58 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.921 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -167.35 -148.43 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.548 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 47' ' ' THR . 7.6 m -94.41 37.01 1.12 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.744 ' HD3' HG22 ' A' ' 44' ' ' THR . 0.0 OUTLIER -75.41 -8.64 57.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.539 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 48' ' ' LYS . 0.1 OUTLIER 72.19 -58.87 0.58 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.759 0.314 . . . . 0.0 110.912 -179.585 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.79 22.63 0.92 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.781 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.632 ' O ' HG12 ' A' ' 51' ' ' VAL . 18.3 t -152.55 20.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.694 0.283 . . . . 0.0 111.429 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.07 -3.87 57.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.686 0.279 . . . . 0.0 111.153 179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.08 31.18 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.873 0.368 . . . . 0.0 110.832 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HB3' ' A' ' 138' ' ' ASN . 47.7 m-85 58.37 40.41 24.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.994 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.612 ' O ' ' HB2' ' A' ' 42' ' ' ALA . . . -70.47 -44.79 57.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.378 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.61 -53.55 54.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -60.58 -30.73 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.798 ' HB1' ' CG2' ' A' ' 41' ' ' THR . . . -56.08 -50.12 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 m -66.07 -33.98 77.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.57 -47.19 84.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.222 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.466 ' HB3' HD21 ' A' ' 103' ' ' LEU . 11.5 t80 -62.19 -42.2 99.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.885 HG21 ' O ' ' A' ' 20' ' ' GLY . 27.1 m -74.17 -33.45 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.97 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 30.3 mttt -70.83 -44.1 67.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.137 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -34.72 65.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.409 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.1 tpt -67.97 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.773 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 62' ' ' THR . 28.7 m -90.03 -45.75 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.506 ' N ' HG23 ' A' ' 66' ' ' VAL . 3.1 mm-40 -57.92 -26.92 62.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.701 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -94.94 -38.26 10.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.648 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.886 ' HB2' ' HB1' ' A' ' 94' ' ' ALA . . . -65.68 84.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -27.72 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.48 119.13 30.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.05 179.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.627 HD13 ' H ' ' A' ' 14' ' ' LEU . 1.5 mp -122.72 143.13 36.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.297 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.475 ' HB3' ' HB2' ' A' ' 9' ' ' LYS . 34.8 mp0 -132.98 150.82 52.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.916 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.929 HG22 ' HB2' ' A' ' 11' ' ' ALA . 15.5 m -132.06 147.12 32.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.893 0.378 . . . . 0.0 111.209 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -137.15 129.7 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.455 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 5.1 m-85 -94.27 140.91 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.356 179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -95.02 21.46 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.501 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.5 mttt 79.95 -20.76 0.36 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.87 179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.76 -152.94 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.467 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.65 122.05 12.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 2.3 ttm180 -86.03 -22.04 27.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.639 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 16.8 p -149.21 111.33 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.526 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -53.66 -49.31 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.276 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' HE3' ' CE2' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -178.08 -38.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.176 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.436 ' CE2' ' HE3' ' A' ' 84' ' ' LYS . 25.6 m-85 -94.49 38.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.113 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.99 30.9 55.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.597 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mmt-85 -82.24 115.1 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.298 . . . . 0.0 110.791 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -59.55 83.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.678 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.662 HD22 HD23 ' A' ' 37' ' ' LEU . 9.8 mt -61.22 119.77 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.777 0.322 . . . . 0.0 110.594 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.526 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . 176.88 167.31 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.146 -179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.82 140.9 36.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.78 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.595 HD13 HG12 ' A' ' 74' ' ' VAL . 22.5 mm -99.89 140.68 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.157 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.485 ' O ' HG23 ' A' ' 72' ' ' ILE . 59.7 m-85 -132.02 127.21 35.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.886 ' HB1' ' HB2' ' A' ' 69' ' ' ALA . . . -113.41 123.85 51.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.7 t0 40.91 41.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.06 20.98 68.89 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.792 -0.718 . . . . 0.0 113.02 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 94' ' ' ALA . 1.3 tptt -117.42 141.1 48.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.76 0.314 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.503 ' CE ' HD13 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -85.21 111.12 19.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.596 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.575 HG12 HD12 ' A' ' 103' ' ' LEU . 17.6 t -72.08 -34.47 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.45 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.707 ' O ' HG23 ' A' ' 104' ' ' VAL . 2.4 p-10 -62.18 -47.01 86.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 98' ' ' MET . 0.4 OUTLIER -76.54 -36.09 57.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.773 0.321 . . . . 0.0 111.066 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.412 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -60.98 -45.38 95.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.895 0.379 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.575 HD12 HG12 ' A' ' 99' ' ' VAL . 10.2 mt -66.64 -51.45 56.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.797 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 100' ' ' ASN . 32.5 t -62.8 -44.52 99.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.801 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -59.0 -30.33 67.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.771 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -90.53 -28.01 18.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.734 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.866 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 104.28 40.39 2.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.55 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.1 mm? -120.52 -25.52 5.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.459 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.707 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -111.83 137.32 49.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.942 0.401 . . . . 0.0 111.449 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 148.36 25.72 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.569 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -70.14 110.21 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.199 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -83.07 167.94 17.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.62 98.34 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 118' ' ' ASN . 13.1 p -70.43 159.33 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.033 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.488 ' N ' HG22 ' A' ' 114' ' ' VAL . 51.0 m-85 -59.87 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.399 179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.9 mttt 172.08 150.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.964 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.98 -29.14 13.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.355 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.727 ' OD1' HD22 ' A' ' 37' ' ' LEU . 1.8 t-20 -107.97 92.9 4.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.657 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -157.6 35.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.705 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 m -83.03 -31.22 27.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.012 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.685 ' O ' HD12 ' A' ' 125' ' ' LEU . 41.0 m170 -102.01 20.08 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -59.06 -20.28 51.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.154 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.19 -53.18 8.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.409 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.503 HD13 ' CE ' ' A' ' 98' ' ' MET . 3.3 pp -70.03 -33.97 72.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.685 HD12 ' O ' ' A' ' 121' ' ' HIS . 5.7 mt -63.38 -51.9 63.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 ptt180 -65.19 -32.64 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -51.03 60.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.808 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.6 m -62.15 -32.79 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -74.57 -45.65 44.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.12 -42.73 91.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -65.64 -42.18 91.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.69 -31.23 68.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -74.99 -51.0 14.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -58.25 -40.92 83.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.148 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -87.09 -19.75 28.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.455 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 60.27 1.83 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.943 0.402 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 10.6 mt -61.27 -76.07 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 54' ' ' TYR . 17.9 m120 -136.66 -77.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.22 -179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.3 pt -49.76 -39.44 14.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.439 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 19.9 m95 -99.43 32.55 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.5 t -120.85 37.65 4.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.86 30.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.952 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -98.01 36.83 1.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -175.74 128.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -131.83 -47.39 0.95 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -124.86 176.28 6.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.96 32.16 5.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.83 -98.03 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.927 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.775 0.321 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.6 p -143.87 129.35 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 60.64 38.33 18.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.93 37.68 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -125.63 148.35 49.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -169.44 162.08 10.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD22 ' CD ' ' A' ' 75' ' ' GLU . 2.0 mp -76.25 -175.89 3.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -115.65 120.63 40.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.028 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' HG2' ' CE1' ' A' ' 93' ' ' TYR . 1.6 mtmm -82.99 155.83 23.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.513 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 74' ' ' VAL . 53.3 tt0 -175.56 126.38 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.807 0.337 . . . . 0.0 111.256 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -147.87 -91.46 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 165.48 -79.83 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.769 0.318 . . . . 0.0 110.808 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.706 ' O ' HD23 ' A' ' 25' ' ' LEU . 53.5 m -156.75 145.93 20.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.78 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.778 HD13 ' HB ' ' A' ' 66' ' ' VAL . 1.0 OUTLIER -97.22 131.74 43.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.29 -51.42 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.763 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -178.59 145.78 0.33 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.206 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.789 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -81.44 153.15 27.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 HD12 HG22 ' A' ' 22' ' ' THR . 21.7 mt -111.28 -56.42 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.312 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 21' ' ' ASP . 1.1 t70 -140.17 56.18 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.189 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.848 ' O ' HG21 ' A' ' 62' ' ' THR . . . 66.17 -68.65 0.14 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.628 179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 19' ' ' ASP . 17.4 p30 -81.77 -29.19 32.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.487 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.469 HG23 ' HG2' ' A' ' 35' ' ' ARG . 1.5 m -98.04 105.95 18.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.179 179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.789 HG12 ' CB ' ' A' ' 17' ' ' ALA . 33.0 m -132.39 148.02 31.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.396 -179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.04 106.84 16.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.251 179.436 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.781 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.4 OUTLIER -112.23 127.01 55.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.05 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.881 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 2.2 ttm -77.19 96.6 4.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.481 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.478 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 45.4 t80 -102.47 145.26 29.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.68 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.54 27.96 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.981 -179.884 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 85.83 18.97 58.82 Favored Glycine 0 CA--C 1.52 0.385 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.572 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.4 ' HG2' ' HG3' ' A' ' 28' ' ' LYS . 2.4 pt20 -137.43 134.03 35.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 117.136 0.468 . . . . 0.0 111.217 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -78.49 98.02 5.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.26 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.455 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 15.4 ptm -112.87 153.19 28.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.705 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 m -79.89 111.32 16.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.019 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.572 ' CE2' HG11 ' A' ' 74' ' ' VAL . 18.2 m-85 -95.94 138.28 33.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.766 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HG2' HG23 ' A' ' 22' ' ' THR . 3.6 mmt180 -119.23 126.96 52.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.68 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.9 OUTLIER -56.87 108.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.913 0.387 . . . . 0.0 110.698 179.707 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.803 ' O ' HG23 ' A' ' 39' ' ' VAL . 4.9 tt -62.48 139.31 58.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.858 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.601 HD11 ' HA ' ' A' ' 119' ' ' ASN . 14.2 mt 47.75 27.55 1.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.699 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 37' ' ' LEU . 23.6 t -140.54 146.44 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.795 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CB ' ' HG3' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -131.39 108.88 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.684 179.793 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 1.047 HG22 ' HB1' ' A' ' 58' ' ' ALA . 1.6 m -110.98 88.51 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.775 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.76 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . . . 69.1 139.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -177.14 50.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.69 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.587 HG22 ' OE2' ' A' ' 52' ' ' GLU . 0.2 OUTLIER -75.84 99.32 4.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.968 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 23.4 7.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -117.63 -29.08 5.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 69.3 74.54 0.24 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.0 mttm -95.56 -51.62 4.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.873 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.59 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.85 29.83 1.94 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.697 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.612 ' O ' HG12 ' A' ' 51' ' ' VAL . 19.2 t -152.69 28.57 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.815 0.34 . . . . 0.0 111.145 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.587 ' OE2' HG22 ' A' ' 44' ' ' THR . 0.1 OUTLIER -84.16 -14.97 48.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.93 37.13 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' CE1' ' HB3' ' A' ' 138' ' ' ASN . 73.5 m-85 60.87 39.96 16.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 42' ' ' ALA . . . -71.56 -35.74 62.69 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.476 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.98 -30.32 50.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -80.9 -27.94 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.053 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 1.047 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -61.8 -45.26 94.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -36.61 81.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.761 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.93 -47.0 82.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' HZ ' ' HB1' ' A' ' 102' ' ' ALA . 10.7 t80 -57.13 -47.73 80.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.953 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.848 HG21 ' O ' ' A' ' 20' ' ' GLY . 87.6 m -74.2 -32.9 63.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.824 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.17 -43.8 66.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.166 -179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 -33.14 59.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.104 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.654 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 1.4 tpt -71.79 -33.29 68.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.07 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.778 ' HB ' HD13 ' A' ' 14' ' ' LEU . 30.4 m -85.78 -38.47 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.329 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.03 -27.74 62.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -95.12 -26.95 15.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.276 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.825 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -57.55 -40.43 78.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.378 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 11.9 mttt 75.21 -23.44 0.24 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.895 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -133.03 119.66 20.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.811 0.339 . . . . 0.0 110.372 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.781 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.2 mp -122.25 138.96 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.058 0.456 . . . . 0.0 111.902 -179.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 19.9 mp0 -130.88 146.91 52.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.148 179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.572 HG11 ' CE2' ' A' ' 34' ' ' PHE . 27.3 m -120.97 149.13 23.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.05 0.452 . . . . 0.0 111.735 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.648 ' CD ' HD22 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -133.94 115.85 14.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 179.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.454 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.1 m-85 -92.36 147.06 23.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.31 -166.33 1.5 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.738 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 -21.95 36.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.79 -149.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.593 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.701 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.6 pm0 -86.86 152.61 22.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.91 0.386 . . . . 0.0 111.145 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -84.92 -26.4 27.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.877 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 87' ' ' ARG . 7.1 p -133.48 107.58 8.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.598 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.2 t70 -70.1 64.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.195 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 29.43 1.05 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.333 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -125.87 14.7 8.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.256 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 54.73 22.61 26.47 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.565 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.67 ' O ' HG22 ' A' ' 82' ' ' THR . 0.5 OUTLIER -115.95 173.05 6.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -111.83 78.89 0.25 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.142 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.863 HD12 ' O ' ' A' ' 89' ' ' LEU . 2.7 pp -60.38 143.63 52.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.999 0.428 . . . . 0.0 110.848 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 174.49 167.44 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.76 -179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.447 ' CZ ' HD22 ' A' ' 37' ' ' LEU . 38.8 m-85 -79.43 133.35 36.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.528 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.84 137.17 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.24 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.449 ' CE1' ' HG2' ' A' ' 9' ' ' LYS . 36.0 m-85 -132.01 124.96 30.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.683 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.825 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.87 123.5 48.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.3 t70 40.92 43.2 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.854 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.96 19.04 71.0 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.154 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -118.89 137.25 53.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.742 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.44 ' HG3' ' CE2' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -79.99 115.7 19.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG12 ' CD1' ' A' ' 103' ' ' LEU . 20.7 t -73.17 -39.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.621 ' O ' HG23 ' A' ' 104' ' ' VAL . 3.1 p30 -60.04 -50.01 75.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.9 -46.0 79.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.578 ' HB1' ' HZ ' ' A' ' 61' ' ' PHE . . . -57.39 -42.72 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.502 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.576 ' CD1' HG12 ' A' ' 99' ' ' VAL . 11.6 mt -67.36 -53.15 31.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.175 -179.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 109' ' ' ALA . 26.8 t -63.94 -44.21 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -60.25 -31.34 70.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.677 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.12 -25.6 22.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.861 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.852 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 100.0 42.28 2.66 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.398 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 107' ' ' GLY . 9.6 mp -122.09 -24.6 5.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.55 0.214 . . . . 0.0 111.502 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.673 ' O ' HG22 ' A' ' 104' ' ' VAL . . . -128.27 139.5 52.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.86 0.362 . . . . 0.0 111.18 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HG3' ' CB ' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -104.09 -171.31 1.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.722 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.49 106.88 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.858 0.361 . . . . 0.0 111.504 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -58.88 -165.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.52 96.61 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.951 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 118' ' ' ASN . 72.6 t -69.27 -84.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.953 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 39.7 t80 178.35 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.827 0.346 . . . . 0.0 110.683 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 -36.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.11 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -64.8 -69.93 1.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.66 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.822 ' HB2' HG21 ' A' ' 114' ' ' VAL . 52.7 m-20 -73.65 81.75 1.54 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.876 0.369 . . . . 0.0 110.941 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . 0.601 ' HA ' HD11 ' A' ' 38' ' ' LEU . 30.6 m-20 -149.43 32.4 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.5 m -80.85 -45.61 16.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.733 ' CB ' HD21 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -91.92 12.44 21.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.283 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.797 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.7 tp10 -59.82 -17.56 37.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 111.307 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -70.85 -54.1 12.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.128 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -66.43 -33.98 76.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.944 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.797 HD12 ' HA ' ' A' ' 122' ' ' GLU . 7.9 mt -66.82 -46.21 75.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -36.91 79.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -47.9 73.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.775 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 15.9 m -60.72 -37.23 81.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 -40.5 60.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.36 -47.57 78.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.02 -42.89 99.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.734 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.75 -27.82 67.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -75.46 -51.05 13.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -30.42 71.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.065 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -91.07 -25.68 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.81 66.57 0.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.866 0.365 . . . . 0.0 110.655 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 43.4 mt -70.59 -69.4 0.36 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.41 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 64.8 m-20 -140.02 -75.59 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.149 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.852 HG23 ' O ' ' A' ' 107' ' ' GLY . 11.5 pt -52.23 -38.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.436 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.2 m95 -97.59 28.05 4.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.019 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.95 30.77 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.8 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.23 28.81 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -134.86 37.22 3.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.01 112.72 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -117.67 -169.67 1.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.098 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -77.79 131.08 37.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.67 147.69 50.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 61.1 -165.11 16.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.84 -179.71 7.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.6 t -75.61 171.32 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -107.8 -50.45 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' HB3' HD21 ' A' ' 7' ' ' LEU . 2.9 mttt -59.85 140.02 56.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' C ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -113.98 100.65 8.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.998 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 HD23 ' N ' ' A' ' 7' ' ' LEU . 1.2 pt? -174.69 66.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -103.72 122.17 44.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.065 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HG2' ' CD1' ' A' ' 93' ' ' TYR . 0.0 OUTLIER -76.74 155.17 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.523 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -176.59 126.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.744 0.306 . . . . 0.0 111.206 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.606 ' O ' ' HB2' ' A' ' 12' ' ' ALA . . . -145.54 -92.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.954 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 166.67 -82.77 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.623 0.249 . . . . 0.0 111.339 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.5 m -147.07 142.15 27.1 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.881 0.372 . . . . 0.0 111.21 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD22 ' N ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -96.38 118.72 33.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.765 179.788 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.703 HD11 ' HB2' ' A' ' 26' ' ' MET . 3.8 mp -73.15 -59.11 3.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.983 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -173.22 144.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.753 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -77.26 153.12 34.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.019 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.589 ' CD1' HG23 ' A' ' 33' ' ' THR . 4.5 mt -112.25 -39.77 3.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.306 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -159.22 54.07 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.296 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.813 ' O ' HG21 ' A' ' 62' ' ' THR . . . 67.19 -68.09 0.22 Allowed Glycine 0 CA--C 1.518 0.262 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.86 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -81.95 -31.56 31.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.533 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.597 HG23 ' HG2' ' A' ' 35' ' ' ARG . 3.0 m -98.8 106.53 18.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.36 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.753 HG12 ' CB ' ' A' ' 17' ' ' ALA . 32.9 m -130.89 147.96 33.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.465 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -85.73 106.65 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.312 179.526 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.73 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -112.45 134.65 53.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 -179.606 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.873 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 11.1 ttt -86.26 97.07 10.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.608 179.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 34.6 t80 -98.93 143.62 29.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.511 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.2 OUTLIER 44.9 27.91 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.894 -179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 84.6 19.14 60.58 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 120.722 -0.752 . . . . 0.0 113.511 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 27' ' ' TYR . 17.9 pt20 -135.84 124.38 23.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.108 0.454 . . . . 0.0 111.305 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HA ' ' A' ' 26' ' ' MET . . . -70.86 113.69 8.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.246 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.465 ' CG ' ' CE1' ' A' ' 34' ' ' PHE . 6.6 ptm -130.6 153.3 49.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.629 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.589 HG23 ' CD1' ' A' ' 18' ' ' ILE . 3.3 m -79.82 113.04 17.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' CE2' HG21 ' A' ' 74' ' ' VAL . 19.1 m-85 -99.33 133.3 43.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.676 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.597 ' HG2' HG23 ' A' ' 22' ' ' THR . 14.4 mtp180 -116.41 122.39 44.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.526 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 2.7 mt -52.51 123.08 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.839 HD21 HD13 ' A' ' 89' ' ' LEU . 6.3 mt -76.9 135.83 38.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.753 -179.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.53 ' HB3' HD13 ' A' ' 125' ' ' LEU . 14.4 mt 59.9 26.71 15.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.825 179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.749 HG12 ' HB1' ' A' ' 109' ' ' ALA . 3.2 t -140.14 152.57 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.858 0.361 . . . . 0.0 111.204 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.7 108.92 6.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.617 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.894 HG22 ' HB1' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -124.7 65.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.768 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 41' ' ' THR . . . 175.24 139.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -179.17 79.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -118.12 82.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.89 28.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -115.96 -36.72 4.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.6 m 65.38 37.57 6.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -54.35 33.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -44.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.91 46.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.623 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.9 t -156.24 -76.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.82 0.343 . . . . 0.0 110.393 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 80.8 -35.57 0.12 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.307 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER 163.54 39.06 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.699 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 138' ' ' ASN . 8.5 m-85 67.84 39.0 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.787 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.56 -43.23 8.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.317 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -42.77 96.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HG2' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -75.26 -26.51 58.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.827 179.711 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.894 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -56.5 -44.62 80.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 51.9 p -70.63 -33.93 71.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.796 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.9 -47.2 69.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.19 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.42 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 11.3 t80 -59.44 -43.53 93.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.678 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.813 HG21 ' O ' ' A' ' 20' ' ' GLY . 38.9 m -74.2 -35.58 63.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.944 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.575 ' HG2' ' HB3' ' A' ' 17' ' ' ALA . 51.0 mttt -67.39 -46.04 74.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.348 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.02 -39.74 68.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.522 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.9 ttt -72.21 -35.42 68.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.398 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 62' ' ' THR . 4.0 p -82.8 -41.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.813 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -72.2 -22.64 61.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.293 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -89.72 -36.21 15.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.244 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.923 ' CB ' ' HB1' ' A' ' 94' ' ' ALA . . . -48.03 -37.48 15.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.418 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 6.2 mtpt 74.9 -24.36 0.22 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.83 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 69' ' ' ALA . 0.2 OUTLIER -133.12 119.69 20.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.697 0.284 . . . . 0.0 110.262 179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.73 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.9 mp -122.18 142.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.129 0.49 . . . . 0.0 111.859 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 9' ' ' LYS . 2.5 mp0 -132.14 141.31 49.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.17 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.496 HG22 ' HB2' ' A' ' 11' ' ' ALA . 33.7 m -117.11 149.1 19.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.073 0.463 . . . . 0.0 111.788 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.57 115.81 15.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.271 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 81' ' ' ARG . 55.9 m-85 -89.0 141.35 28.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.07 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -86.4 -164.55 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.793 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.448 ' NZ ' HG21 ' A' ' 120' ' ' THR . 0.1 OUTLIER -86.9 -17.12 34.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.219 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.24 -139.16 0.01 OUTLIER Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.667 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.833 ' O ' HD11 ' A' ' 89' ' ' LEU . 5.6 pt20 -95.07 153.86 17.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.888 0.375 . . . . 0.0 111.123 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HG3' ' CE2' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -84.96 -25.98 27.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.803 179.751 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 87' ' ' ARG . 8.0 p -138.29 110.3 7.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.475 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.592 ' HB2' HD23 ' A' ' 89' ' ' LEU . 36.0 t70 -70.38 63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.948 0.404 . . . . 0.0 111.261 -179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.42 29.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.508 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -125.77 13.92 8.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 56.73 21.3 35.7 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.525 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.663 ' O ' HG22 ' A' ' 82' ' ' THR . 4.5 mtt-85 -113.19 174.1 6.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.802 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -114.65 81.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.02 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 89' ' ' LEU . 1.9 pp -63.79 142.6 58.34 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.999 0.428 . . . . 0.0 111.021 -179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 177.48 167.58 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.72 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.654 ' HE2' HD21 ' A' ' 125' ' ' LEU . 37.9 m-85 -79.35 130.7 35.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.545 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.462 HD13 HG12 ' A' ' 74' ' ' VAL . 18.5 mm -99.97 133.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.304 -179.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' A' ' 9' ' ' LYS . 34.7 m-85 -132.11 130.63 41.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.923 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -105.93 128.75 54.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.7 t70 40.74 43.79 1.73 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.906 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.56 21.61 74.56 Favored Glycine 0 CA--C 1.518 0.222 0 C-N-CA 120.756 -0.735 . . . . 0.0 113.095 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -115.81 158.0 23.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 110.727 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 49.5 mtp -91.45 112.64 24.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG12 HD12 ' A' ' 103' ' ' LEU . 29.2 t -72.76 -48.96 43.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.49 ' HB3' HD22 ' A' ' 36' ' ' LEU . 3.1 p30 -57.42 -47.03 82.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -60.82 -47.88 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.91 97.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.833 HD22 HG21 ' A' ' 41' ' ' THR . 2.0 mt -61.1 -53.15 60.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 100' ' ' ASN . 24.3 t -69.29 -46.39 77.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.103 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -59.68 -29.47 68.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.825 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -90.67 -28.05 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.674 ' C ' HD22 ' A' ' 108' ' ' LEU . . . 101.72 61.83 0.76 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.495 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 107' ' ' GLY . 3.9 mm? -135.05 -42.9 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.749 ' HB1' HG12 ' A' ' 39' ' ' VAL . . . -114.32 157.49 22.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.279 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.16 179.24 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.547 HG23 ' OE2' ' A' ' 129' ' ' GLU . 25.6 t -74.62 119.85 22.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.365 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.59 -28.53 64.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER 64.33 97.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.851 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.504 HG23 HD23 ' A' ' 38' ' ' LEU . 21.6 t -127.08 106.1 14.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -101.93 33.03 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -114.07 29.7 7.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 113.55 -45.05 1.37 Allowed Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.616 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -72.26 65.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.967 0.413 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.19 46.63 1.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.448 HG21 ' NZ ' ' A' ' 78' ' ' LYS . 4.6 m -99.3 -43.38 6.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.008 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.771 ' HB3' HD21 ' A' ' 124' ' ' LEU . 35.7 m170 -93.66 15.64 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.355 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.769 ' HA ' HD12 ' A' ' 125' ' ' LEU . 3.4 tt0 -59.93 -17.04 34.59 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.705 0.288 . . . . 0.0 111.438 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -68.49 -54.08 19.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 111.14 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.771 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -67.83 -34.38 76.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 122' ' ' GLU . 5.5 mt -69.09 -52.07 32.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -32.61 70.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -43.16 88.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -68.21 -36.11 79.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.547 ' OE2' HG23 ' A' ' 111' ' ' VAL . 2.9 tt0 -69.82 -45.94 66.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.83 98.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -60.94 -42.74 98.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' ' 137' ' ' LEU . . . -74.58 -29.09 61.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.409 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.3 OUTLIER -69.74 -51.14 36.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -33.14 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -85.62 -24.35 27.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 58.8 66.69 1.03 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.937 0.399 . . . . 0.0 110.692 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 132' ' ' ALA . 2.5 mt -72.24 -76.82 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.252 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 54' ' ' TYR . 14.4 m-20 -128.79 -78.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.098 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 16.0 pt -51.03 -38.26 18.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.334 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 15.5 m95 -97.73 31.83 2.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.989 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 24.8 t -111.6 31.13 6.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -164.1 31.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -110.06 176.68 4.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -128.15 128.65 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.41 -39.12 15.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 68.79 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.7 p -78.32 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.918 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 122.0 -54.27 0.69 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.835 0.35 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 43.8 p -122.52 95.72 4.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.995 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m 60.33 172.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.7 m -91.37 159.74 15.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -75.15 -169.17 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.986 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -95.39 44.71 1.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 7' ' ' LEU . 6.5 tp -160.8 129.35 4.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -83.96 165.45 18.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -86.81 158.5 19.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.6 tp10 -130.92 -140.28 0.22 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.396 -179.871 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.91 ' HB2' HG22 ' A' ' 74' ' ' VAL . . . 70.43 -145.35 0.08 Allowed 'General case' 0 CA--C 1.531 0.244 0 O-C-N 122.438 -0.163 . . . . 0.0 111.031 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 26' ' ' MET . . . 178.04 -67.74 0.01 OUTLIER 'General case' 0 C--O 1.23 0.078 0 CA-C-O 120.578 0.228 . . . . 0.0 111.425 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -146.12 145.72 30.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.826 0.346 . . . . 0.0 111.219 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.77 ' H ' HD13 ' A' ' 72' ' ' ILE . 1.3 tm? -98.21 124.59 42.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.965 179.645 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.686 ' N ' HD22 ' A' ' 14' ' ' LEU . 4.7 mp -79.86 -58.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.705 179.622 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 139.0 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.201 179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.764 ' CB ' HG12 ' A' ' 23' ' ' VAL . . . -80.25 153.17 28.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.73 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.834 HD12 HG22 ' A' ' 22' ' ' THR . 21.4 mt -108.98 -52.84 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.514 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -147.23 55.25 1.09 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.317 -179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' THR . . . 68.22 -66.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.983 179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 2.1 p30 -83.03 -30.35 28.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 0.0 110.625 179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.834 HG22 HD12 ' A' ' 18' ' ' ILE . 5.7 m -98.69 107.95 20.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.231 179.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.764 HG12 ' CB ' ' A' ' 17' ' ' ALA . 28.2 m -136.0 146.08 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.62 -179.3 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.536 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -84.99 106.69 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.192 179.432 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.789 HD11 ' CG2' ' A' ' 72' ' ' ILE . 0.2 OUTLIER -107.81 137.65 45.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.365 -179.452 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 1.6 ttt -84.63 103.77 14.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.464 179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 50.4 t80 -100.86 128.96 46.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.739 -179.827 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' TYR . 0.1 OUTLIER 43.79 28.77 0.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.805 -179.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.03 19.05 34.87 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.684 -0.77 . . . . 0.0 113.222 179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.22 121.97 23.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.954 0.377 . . . . 0.0 111.184 179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.403 ' HB1' ' HE2' ' A' ' 24' ' ' LYS . . . -75.12 95.89 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.851 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.431 ' HG3' ' CE1' ' A' ' 34' ' ' PHE . 27.2 ptm -108.37 152.91 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 m -80.84 113.57 19.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.796 ' CE2' HG21 ' A' ' 74' ' ' VAL . 13.2 m-85 -95.92 157.13 16.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.843 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' ASP . 4.1 mmt180 -139.04 121.3 15.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.971 -179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.593 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -59.04 111.05 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.9 mt -71.61 137.58 48.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.63 -179.414 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.826 ' HB3' HD13 ' A' ' 125' ' ' LEU . 10.7 mt 57.86 25.01 11.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.556 179.488 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 37' ' ' LEU . 15.3 t -142.2 146.51 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.864 179.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.46 108.88 9.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.68 179.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.974 HG22 ' HB1' ' A' ' 58' ' ' ALA . 3.8 m -112.99 62.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.902 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -176.35 -47.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 53.95 30.45 11.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.065 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -84.34 82.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.0 23.04 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.426 ' CE1' ' HE3' ' A' ' 48' ' ' LYS . 1.7 t-80 -120.93 -32.1 4.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.079 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 67.75 68.82 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 46' ' ' HIS . 21.1 mttt -121.06 -43.0 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.83 -37.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.22 29.5 1.46 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.808 179.816 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.597 ' O ' HG12 ' A' ' 51' ' ' VAL . 17.3 t -151.63 31.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.399 . . . . 0.0 111.026 179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -93.47 12.62 24.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.237 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.35 36.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' ND2' ' A' ' 138' ' ' ASN . 30.8 m-85 59.37 21.21 9.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' O ' ' HB3' ' A' ' 58' ' ' ALA . . . -56.04 -45.13 87.86 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.627 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.68 -60.15 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.031 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.07 -23.5 63.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.974 ' HB1' HG22 ' A' ' 41' ' ' THR . . . -60.63 -43.48 97.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.997 0.427 . . . . 0.0 110.779 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 7.1 p -70.1 -37.41 75.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.44 -47.21 79.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 103' ' ' LEU . 8.8 t80 -57.94 -47.15 83.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.792 ' OG1' HD11 ' A' ' 103' ' ' LEU . 60.6 m -74.35 -37.95 63.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.995 -179.845 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 59' ' ' SER . 2.2 tttt -66.17 -40.99 90.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.689 -179.383 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 64' ' ' LYS . 0.3 OUTLIER -73.75 -47.19 40.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.181 0.515 . . . . 0.0 110.712 -179.615 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.584 ' O ' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -67.08 -30.36 70.38 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.391 -179.38 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.541 HG22 HG12 ' A' ' 72' ' ' ILE . 7.0 p -80.86 -38.01 16.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.691 0.282 . . . . 0.0 111.5 -179.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.13 -31.9 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.847 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -81.82 -25.85 34.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' MET . . . -56.14 -40.14 73.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.362 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' CB ' ' O ' ' A' ' 69' ' ' ALA . 1.7 mttp 86.33 -31.77 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.329 -179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' C ' HD12 ' A' ' 72' ' ' ILE . 1.3 tmtt? -128.73 119.87 25.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.379 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.789 ' CG2' HD11 ' A' ' 25' ' ' LEU . 3.4 mp -122.08 123.21 68.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.198 0.523 . . . . 0.0 111.905 -179.462 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.8 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 1.7 mt-10 -118.33 156.99 27.93 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.422 179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.91 HG22 ' HB2' ' A' ' 11' ' ' ALA . 21.2 m -141.09 148.04 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.926 0.393 . . . . 0.0 111.642 -179.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.48 ' CG ' HD23 ' A' ' 7' ' ' LEU . 26.8 tt0 -125.94 117.83 24.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.623 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.407 ' CD2' ' HG3' ' A' ' 81' ' ' ARG . 32.3 m-85 -86.26 147.04 26.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -103.56 -178.97 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.54 -18.05 49.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.225 -179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.7 -122.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.699 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -97.15 140.22 31.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.915 0.388 . . . . 0.0 111.059 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 76' ' ' PHE . 1.3 ttm105 -98.8 -24.6 14.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.968 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 87' ' ' ARG . 16.0 p -143.61 113.39 7.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.589 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.67 ' HB3' HD11 ' A' ' 89' ' ' LEU . 5.4 p-10 -69.84 64.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 -179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.92 28.28 0.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.423 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -134.06 12.91 3.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.983 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 57.36 19.35 32.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.553 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.671 ' O ' HG22 ' A' ' 82' ' ' THR . 0.9 OUTLIER -84.5 -175.87 5.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.08 72.29 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.566 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD11 ' HB3' ' A' ' 83' ' ' ASP . 9.9 mt -55.05 119.64 5.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.798 0.333 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 89' ' ' LEU . . . 176.25 166.97 0.44 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.095 -179.853 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -80.83 142.14 33.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.43 HD13 HG12 ' A' ' 74' ' ' VAL . 16.6 mm -100.05 140.46 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.266 -179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -132.1 123.87 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.674 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 69' ' ' ALA . . . -107.1 124.23 49.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.224 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.7 t70 40.84 44.77 2.0 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.782 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.27 20.28 75.41 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.808 -0.711 . . . . 0.0 113.101 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.62 140.98 52.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.745 0.307 . . . . 0.0 110.691 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 2.0 mtt -78.69 113.09 16.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.658 HG11 HG23 ' A' ' 62' ' ' THR . 16.4 t -65.99 -39.87 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.603 ' O ' HG23 ' A' ' 104' ' ' VAL . 1.6 p-10 -59.62 -42.99 93.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -65.58 -51.9 56.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.008 -179.824 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.17 -36.14 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.354 -179.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.792 HD11 ' OG1' ' A' ' 62' ' ' THR . 8.9 mt -70.09 -53.19 18.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.162 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 100' ' ' ASN . 26.3 t -68.8 -40.4 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.046 -179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -62.26 -32.13 72.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.783 179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -27.42 24.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.86 ' O ' HG23 ' A' ' 139' ' ' ILE . . . 103.1 40.87 2.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.252 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.517 HD22 ' C ' ' A' ' 107' ' ' GLY . 4.2 mm? -117.39 -33.86 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.716 0.293 . . . . 0.0 111.084 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -119.85 152.54 37.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.205 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.88 -175.88 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 129' ' ' GLU . 21.7 t -92.19 107.28 18.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.158 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . . . -60.26 -167.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.997 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -134.72 85.6 2.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.614 HG11 ' HB3' ' A' ' 118' ' ' ASN . 21.3 t -98.62 94.39 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.955 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -97.55 31.42 2.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -101.39 -29.26 12.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.11 -26.55 0.37 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.614 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.614 ' HB3' HG11 ' A' ' 114' ' ' VAL . 55.8 t30 -65.45 81.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.971 0.415 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.91 47.76 2.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.762 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 7.1 m -105.66 -48.66 3.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.77 ' HB3' HD21 ' A' ' 124' ' ' LEU . 34.5 m80 -92.0 13.53 18.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.461 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.886 ' HA ' HD12 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -60.47 -17.16 43.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.593 0.235 . . . . 0.0 111.349 -179.884 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -71.31 -53.97 12.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.216 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 121' ' ' HIS . 0.4 OUTLIER -66.75 -33.96 76.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.03 -179.899 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.886 HD12 ' HA ' ' A' ' 122' ' ' GLU . 9.5 mt -63.39 -46.16 87.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.785 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -69.64 -32.55 71.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -51.01 68.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 6.2 p -66.83 -37.65 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.52 ' CG ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -71.8 -40.07 69.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -47.12 77.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -60.9 -38.56 86.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.428 ' CB ' HD12 ' A' ' 137' ' ' LEU . . . -73.84 -28.59 61.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.034 179.843 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.403 ' HA ' ' CB ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -71.62 -51.11 24.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.003 -179.904 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.39 -30.23 70.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.22 -26.16 23.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt 60.26 67.48 0.85 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.4 . . . . 0.0 110.68 -179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.428 HD12 ' CB ' ' A' ' 132' ' ' ALA . 23.1 mt -73.04 -75.37 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.175 -179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 54' ' ' TYR . 7.6 m-20 -134.36 -72.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.04 -179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.86 HG23 ' O ' ' A' ' 107' ' ' GLY . 15.5 pt -53.92 -38.65 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.403 ' CB ' ' HA ' ' A' ' 133' ' ' LYS . 16.6 m95 -98.3 31.13 2.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 29.1 t -106.88 29.25 7.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -177.38 37.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.0 157.28 19.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -152.03 -47.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 59.62 168.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.19 31.1 6.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.09 86.08 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.75 57.54 0.32 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.567 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.919 -179.983 . . . . . . . . 0 0 . 1 stop_ save_