data_2jsw_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 2jsw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' 2303 ' ' VAL . 11.4 m-20 . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 110.158 -0.312 . . . . 1.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.536 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.445 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.432 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.432 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.428 HD12 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2353 ' ' ALA . . . . . 0.445 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2365 ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2368 ' ' ARG . . . . . 0.492 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.778 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.778 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.412 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2383 ' ' ALA . . . . . 0.513 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.415 HD11 ' O ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.536 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.597 ' O ' HG11 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.431 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.597 HG11 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.734 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.522 HD22 HG22 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2413 ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2418 ' ' HIS . . . . . 0.407 ' HB3' ' HB3' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.454 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG21 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.734 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.479 ' HB2' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.501 HG21 HG23 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.505 ' HB2' HG12 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2442 ' ' CYS . . . . . 0.513 ' SG ' HD12 ' A' 2456 ' ' LEU . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.59 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD21 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.501 HG23 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.522 HD13 HG22 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.544 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.572 ' HG3' ' HG ' ' A' 2364 ' ' SER . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.441 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.492 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.5 t-20 . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.467 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.495 HG22 HD13 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.451 HD21 HG21 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2360 ' ' VAL . . . . . 0.441 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.572 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.684 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.461 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2388 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 2384 ' ' LEU . 25.9 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.443 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.51 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.433 HG23 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.492 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.603 ' O ' HG22 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2413 ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2418 ' ' HIS . . . . . 0.438 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.546 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.546 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2426 ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.526 ' O ' HG22 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2430 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB3' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.616 ' HA ' HG23 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' 2439 ' ' LEU . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.684 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2449 ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2451 ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.421 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2455 ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.514 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.407 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2461 ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.51 HG23 ' CG2' ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2465 ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.495 HD13 HG22 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.467 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.419 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.69 -0.856 . . . . 1.0 108.69 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.424 ' CG ' ' HG ' ' A' 2357 ' ' SER . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 120.958 0.408 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.494 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.479 HG21 HD13 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.608 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.608 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2357 ' ' SER . . . . . 0.424 ' HG ' ' CG ' ' A' 2317 ' ' GLU . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.493 HD12 HD21 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG21 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.499 ' HG ' HG12 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.415 HG23 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.415 ' H ' HG23 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.723 HD11 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 2385 ' ' ASP . . . . . 0.723 ' H ' HD11 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.473 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.484 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2421 ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' 2475 ' ' GLN . 51.6 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2422 ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2424 ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.465 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.517 ' HA ' HG11 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.721 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2437 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 2434 ' ' SER . 7.9 tp-100 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.721 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.579 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.402 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.463 ' O ' HG21 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2461 ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.465 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2465 ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.479 HD13 HG21 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.494 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' 2421 ' ' GLN . 66.8 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.43 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.317 0.103 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.74 ' HG3' ' HG ' ' A' 2364 ' ' SER . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2308 ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.508 ' HZ1' ' HB2' ' A' 2322 ' ' LYS . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' 2343 ' ' GLU . 3.7 p-10 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 121.255 0.55 . . . . 1.0 110.341 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.507 HG23 HD13 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.555 HG23 HG22 ' A' 2435 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.74 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.652 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.544 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.731 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.652 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2382 ' ' ASN . . . . . 0.535 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.731 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.521 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.557 HG22 HD23 ' A' 2438 ' ' LEU . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2414 ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2419 ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.58 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.455 HG21 ' HE2' ' A' 2429 ' ' LYS . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.544 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.455 ' HE2' HG21 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.555 HG22 HG23 ' A' 2356 ' ' THR . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.557 HD23 HG22 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.412 ' O ' HG21 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.74 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2449 ' ' ASP . . . . . 0.412 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.74 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.64 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.495 ' HA ' HD21 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2461 ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2465 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2468 ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.507 HD13 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.507 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' 2471 ' ' VAL . 76.8 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.461 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 . . . . . 0 C--O 1.23 0.065 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.666 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.433 ' HG1' ' HZ3' ' A' 2389 ' ' TRP . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.574 ' HG3' ' HG ' ' A' 2364 ' ' SER . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2307 ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' 2307 ' ' ASN . 0.9 OUTLIER -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2312 ' ' ALA . . . . . 0.555 ' HB3' ' HB1' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2318 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.612 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' A' 2408 ' ' CYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.61 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' 2415 ' ' VAL . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' 2350 ' ' LYS . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.643 HD12 HD13 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.574 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.493 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.493 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.442 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.43 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2383 ' ' ALA . . . . . 0.666 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.433 ' HZ3' ' HG1' ' A' 2302 ' ' THR . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.429 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2395 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.514 ' O ' HG21 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.534 HD21 HG22 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.49 ' HG ' ' HG ' ' A' 2323 ' ' LEU . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.61 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2422 ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.7 HG21 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG21 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.631 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.505 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.672 HD21 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.42 ' HA ' ' HB1' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.592 ' HB2' ' HE1' ' A' 2453 ' ' MET . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.445 ' HB1' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.592 ' HE1' ' HB2' ' A' 2446 ' ' ALA . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.643 HD13 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.672 ' HA ' HD21 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.406 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.522 HD13 HG22 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.7 HG13 HG21 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.575 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.623 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2310 ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.441 HD13 HD21 ' A' 2412 ' ' ASN . 96.7 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.542 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.596 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.6 ' O ' ' HG2' ' A' 2347 ' ' GLU . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB3' ' HB1' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.434 HG21 HG22 ' A' 2435 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' 2435 ' ' THR . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.555 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' 2371 ' ' VAL . 35.5 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.423 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.555 ' HB3' ' HB1' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.537 HG21 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.622 HD23 HG23 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2409 ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.441 HD21 HD13 ' A' 2326 ' ' LEU . 23.2 t-20 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.502 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.529 ' O ' HG22 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.622 HG23 HD23 ' A' 2407 ' ' LEU . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.774 ' HB3' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.591 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.497 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2455 ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.453 HD21 HD11 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.453 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.774 ' HD2' ' HB3' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.458 ' HB2' ' HB1' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.5 HD11 HG22 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.535 ' HZ1' ' HB3' ' A' 2476 ' ' LYS . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.431 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 2300 ' ' ASP . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2310 ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2312 ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.461 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.622 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.437 HD11 HD21 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.555 HG22 HG23 ' A' 2435 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2365 ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.456 ' HG3' ' HB1' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.424 HG12 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' 2379 ' ' ILE . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.456 ' H ' HG23 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.431 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.612 HG11 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.622 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.415 HG22 HG13 ' A' 2431 ' ' VAL . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.495 ' HB2' HG22 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.766 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.766 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.515 ' O ' HG21 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' 2427 ' ' SER . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.515 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.577 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2437 ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.473 HD21 HG22 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.609 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.609 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.608 ' HA ' HD22 ' A' 2439 ' ' LEU . 8.9 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.565 ' O ' HG21 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.505 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.565 HG21 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.515 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.517 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2472 ' ' LYS . . . . . 0.618 ' HA ' HE21 ' A' 2475 ' ' GLN . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.618 HE21 ' HA ' ' A' 2472 ' ' LYS . 45.4 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.434 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.585 ' HG2' ' HG ' ' A' 2357 ' ' SER . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.575 0.703 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' 2347 ' ' GLU . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2340 ' ' ASN . 16.7 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' 2341 ' ' PHE . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.658 HG23 HG21 ' A' 2435 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2357 ' ' SER . . . . . 0.585 ' HG ' ' HG2' ' A' 2317 ' ' GLU . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.654 ' O ' HG23 ' A' 2371 ' ' VAL . 39.6 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.407 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.505 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.452 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.628 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.55 ' O ' HG11 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.573 HG23 HD21 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 2431 ' ' VAL . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' 2401 ' ' ALA . 11.3 t-20 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.521 ' HB2' HG22 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.558 ' O ' HG21 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.502 ' O ' HG21 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' 2407 ' ' LEU . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.66 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.658 HG21 HG23 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.713 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.573 HD21 HG23 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.713 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.505 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.7 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2451 ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.445 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.66 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2465 ' ' ARG . . . . . 0.595 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2466 ' ' ALA . . . . . 0.595 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.524 HD13 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.476 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.479 ' HA ' HD13 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2308 ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.412 ' HG ' ' HG ' ' A' 2408 ' ' CYS . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.178 0.513 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.51 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.538 HG21 HD22 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.593 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.593 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.514 HG22 HG11 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' 2447 ' ' ASP . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.455 ' CB ' HG12 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.477 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.578 HG23 HD22 ' A' 2438 ' ' LEU . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.465 HG23 HG12 ' A' 2431 ' ' VAL . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.501 ' HB2' HG23 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.412 ' HG ' ' HG ' ' A' 2323 ' ' LEU . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.544 ' O ' HG21 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.59 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.59 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.529 ' O ' HG22 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' 2427 ' ' SER . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.568 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.691 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.578 HD22 HG23 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.691 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.586 ' HB2' ' HE1' ' A' 2453 ' ' MET . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.587 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.586 ' HE1' ' HB2' ' A' 2443 ' ' LYS . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.616 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.664 ' HA ' HD22 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.495 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.514 HG11 HG22 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.538 HD22 HG21 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.0 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.683 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2310 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.522 HD12 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.541 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.093 0.473 . . . . 1.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.548 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.464 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.464 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2361 ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.621 ' O ' HG22 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' 2373 ' ' GLN . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.524 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.524 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.611 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.501 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2383 ' ' ALA . . . . . 0.683 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.47 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.555 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.425 HG23 HG12 ' A' 2431 ' ' VAL . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.522 ' SG ' HD12 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG21 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' 2416 ' ' GLN . 26.2 t-20 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2414 ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2419 ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.549 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.549 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.475 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG21 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' 2407 ' ' LEU . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.555 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.529 HD23 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2442 ' ' CYS . . . . . 0.408 ' HG ' ' CB ' ' A' 2446 ' ' ALA . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.408 ' CB ' ' HG ' ' A' 2442 ' ' CYS . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.741 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.501 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.741 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.541 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.417 ' HA ' HD22 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.517 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.548 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.576 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2472 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.492 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.568 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.678 ' HB1' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.508 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2307 ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 4.8 p30 -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2308 ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' 2313 ' ' ALA . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.472 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' 2344 ' ' GLN . 3.6 t-20 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' 2341 ' ' PHE . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2350 ' ' LYS . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.657 HG22 HG11 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.559 HG21 HG21 ' A' 2435 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2357 ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.508 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.54 ' O ' HG21 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.774 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.718 HG12 ' HB3' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.542 ' HB2' HD13 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.88 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2382 ' ' ASN . . . . . 0.457 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.88 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.678 ' HB2' ' HB1' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.544 HD22 HD11 ' A' 2352 ' ' ILE . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2421 ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.609 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.593 ' HA ' HG13 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.539 ' HB2' HG12 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.431 ' O ' HG21 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.774 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.493 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2461 ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.657 HG11 HG22 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.521 HD11 HG21 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2472 ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.523 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 2477 ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.476 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.468 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.525 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2307 ' ' ASN . . . . . 0.525 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.553 HD11 HD11 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.553 HD11 HD11 ' A' 2323 ' ' LEU . 87.2 mt . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.932 0.872 . . . . 1.0 108.953 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.427 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' 2341 ' ' PHE . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.573 HG21 HG12 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.75 HG21 HG22 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2360 ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.491 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.427 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2368 ' ' ARG . . . . . 0.466 ' O ' HG11 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' 2373 ' ' GLN . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' 2371 ' ' VAL . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.785 ' HB2' HG21 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.48 ' HB ' ' ND2' ' A' 2382 ' ' ASN . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2382 ' ' ASN . . . . . 0.48 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2383 ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2388 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.427 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2413 ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2418 ' ' HIS . . . . . 0.483 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.538 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.75 HG22 HG21 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.705 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG13 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.705 HD11 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.483 ' O ' HG21 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2442 ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.578 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.619 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.511 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.573 HG12 HG21 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.4 ' CD ' ' HB2' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2466 ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.513 HD21 HG21 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.459 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.62 ' HG3' ' HG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2312 ' ' ALA . . . . . 0.417 ' HB3' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2318 ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' 2319 ' ' ALA . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 14.4 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.69 0.281 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.472 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.538 HG21 HD13 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.422 ' HA ' HD21 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.511 HG22 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.52 HG21 HG22 ' A' 2435 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2357 ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.465 HD13 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2361 ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.62 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.525 HG21 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.44 ' CB ' HG11 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.426 HG21 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG21 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.725 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2387 ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.713 ' HB2' ' HZ3' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.488 ' HB3' ' HB1' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2391 ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.501 ' O ' HG11 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' 2434 ' ' SER . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.587 ' CG1' ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.583 ' O ' ' HB3' ' A' 2408 ' ' CYS . 21.9 t-20 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2406 ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' 2406 ' ' ASN . 0.9 OUTLIER -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.583 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.423 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2421 ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.573 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2427 ' ' SER . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.429 ' HB3' ' HE1' ' A' 2399 ' ' MET . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.727 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.522 ' HB2' HG12 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.725 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.465 HD12 HD13 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' 2439 ' ' LEU . 9.3 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.442 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.511 HG13 HG22 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.75 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.538 HD13 HG21 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.472 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.484 ' HZ1' ' HB3' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 2478 ' ' ALA . . . . . 0.447 ' HB2' HE21 ' A' 2421 ' ' GLN . . . . . . . . 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' 2304 ' ' ILE . 9.2 m-20 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2301 ' ' PRO . . . . . 0.475 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2316 ' ' ILE . . . . . 0.403 HG23 ' HG1' ' A' 2356 ' ' THR . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' 2323 ' ' LEU . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.415 HD12 HD12 ' A' 2326 ' ' LEU . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.415 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2349 ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.403 ' HG1' HG23 ' A' 2316 ' ' ILE . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.418 HD11 HD22 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2387 ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.519 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2391 ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' 2387 ' ' GLY . 8.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.545 ' O ' HG21 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.454 HG23 HG12 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2409 ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.703 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.703 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.623 HG22 HG12 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.474 ' O ' HG22 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.632 ' HA ' HG23 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2442 ' ' CYS . . . . . 0.467 ' HG ' ' HZ2' ' A' 2389 ' ' TRP . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.433 HG13 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.442 ' HB2' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.415 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.61 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.511 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 9.6 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.524 ' O ' HG21 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.42 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2465 ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.623 HG12 HG22 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2308 ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2318 ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2321 ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.626 ' HB2' ' HZ3' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.322 0.582 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.504 HG23 HD13 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.548 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.586 HG21 HG21 ' A' 2435 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.677 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.558 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.558 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.417 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.552 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.691 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.573 ' O ' HG11 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' 2434 ' ' SER . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.573 HG11 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.461 HG22 HG13 ' A' 2431 ' ' VAL . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.502 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' 2429 ' ' LYS . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2426 ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.473 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2430 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' 2407 ' ' LEU . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.439 ' HB3' ' HE3' ' A' 2399 ' ' MET . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.586 HG21 HG21 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.522 ' HB2' HG12 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.552 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.407 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.715 HD21 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.504 HD13 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.481 ' O ' HG13 ' A' 2304 ' ' ILE . 16.6 t70 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2302 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2310 ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2320 ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.493 HD22 HD21 ' A' 2412 ' ' ASN . 60.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.0 t-20 . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 121.678 0.752 . . . . 1.0 109.553 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' 2341 ' ' PHE . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.469 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.767 HG21 HG12 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.541 HG21 HG22 ' A' 2435 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.406 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' 2375 ' ' LYS . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.496 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.468 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.417 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2383 ' ' ALA . . . . . 0.481 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2384 ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2387 ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2388 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.417 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.503 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.617 ' CG1' ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2406 ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' 2406 ' ' ASN . 0.9 OUTLIER -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.641 HD22 HD13 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.493 HD21 HD22 ' A' 2326 ' ' LEU . 21.7 t-20 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2416 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.548 ' O ' HG21 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.421 ' HB1' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.503 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.617 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.537 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.538 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.539 ' HA ' HD21 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.539 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.767 HG12 HG21 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2466 ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.421 ' CB ' ' HB1' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.549 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2472 ' ' LYS . . . . . 0.724 ' HA ' HE21 ' A' 2475 ' ' GLN . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.516 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.724 HE21 ' HA ' ' A' 2472 ' ' LYS . 42.6 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' 2304 ' ' ILE . 10.9 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.526 0.203 . . . . 1.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.695 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' 2408 ' ' CYS . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2324 ' ' GLU . . . . . 0.442 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.452 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2343 ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' 2341 ' ' PHE . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.672 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2347 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' 2470 ' ' LEU . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.672 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.408 HG12 ' HB2' ' A' 2466 ' ' ALA . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.461 HG22 HG21 ' A' 2435 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.572 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.578 ' HB2' HG11 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.413 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.409 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.552 ' O ' HG11 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' 2396 ' ' ALA . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.609 HG21 HD21 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.521 HG21 HG12 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.478 ' HB2' HG23 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.48 ' HG ' HD11 ' A' 2323 ' ' LEU . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.461 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.534 HG21 HG12 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.539 ' O ' HG22 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' 2427 ' ' SER . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.576 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.609 HD21 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.447 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.655 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.655 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' 2463 ' ' VAL . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' 2459 ' ' ALA . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2466 ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' 2352 ' ' ILE . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.437 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.524 HD13 HG21 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.534 HG12 HG21 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.508 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.7 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2309 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2310 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2312 ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.51 HD21 ' ND2' ' A' 2412 ' ' ASN . 99.1 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.581 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.693 0.282 . . . . 1.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.559 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2342 ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' 2341 ' ' PHE . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.57 HG22 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.627 HG23 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2359 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2360 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.573 ' O ' HG22 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2368 ' ' ARG . . . . . 0.481 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2373 ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2375 ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2377 ' ' GLY . . . . . 0.544 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2386 ' ' ASP . . . . . 0.544 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.448 ' O ' HG13 ' A' 2394 ' ' ILE . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 2435 ' ' THR . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.422 HG23 HG11 ' A' 2431 ' ' VAL . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.498 ' HB2' HG23 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.51 ' ND2' HD21 ' A' 2326 ' ' LEU . 3.3 t-20 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.741 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.741 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.514 ' O ' HG22 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' 2427 ' ' SER . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.627 HG21 HG23 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG23 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.736 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.545 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2451 ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.423 ' HE1' ' HD3' ' A' 2443 ' ' LYS . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.439 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.483 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.57 HG13 HG22 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.523 HD12 HG22 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2472 ' ' LYS . . . . . 0.579 ' HA ' HE21 ' A' 2475 ' ' GLN . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.468 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' 2471 ' ' VAL . 48.2 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.626 ' HG3' ' HG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2317 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.555 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 121.053 0.454 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2348 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2351 ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2352 ' ' ILE . . . . . 0.715 HG23 HG12 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2356 ' ' THR . . . . . 0.533 HG22 HG21 ' A' 2435 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.626 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2368 ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2376 ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.441 ' CB ' HG11 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.454 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.72 ' HB2' ' HB1' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.472 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.569 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2398 ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2399 ' ' MET . . . . . 0.529 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2401 ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2404 ' ' THR . . . . . . . . . . . . . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 11.8 m120 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2409 ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.403 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2413 ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2418 ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.596 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2421 ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' 2421 ' ' GLN . 1.6 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.596 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.577 ' O ' HG22 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.529 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.59 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.72 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2437 ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.573 HD23 HG23 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.567 ' HD3' ' HE1' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2445 ' ' LYS . . . . . 0.476 ' HG2' HG13 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.469 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2452 ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.567 ' HE1' ' HD3' ' A' 2443 ' ' LYS . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2454 ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.471 ' HA ' HD22 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2460 ' ' GLY . . . . . 0.448 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.715 HG12 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.619 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2467 ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.499 HD12 HG22 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2474 ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2303 ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2305 ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2306 ' ' GLU . . . . . 0.605 ' HG3' ' HG ' ' A' 2364 ' ' SER . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2307 ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2313 ' ' ALA . . . . . 0.413 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2319 ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2322 ' ' LYS . . . . . 0.525 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2323 ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2326 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2340 ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 . . . . . 0 CA--C 1.516 -0.364 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2341 ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2343 ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2344 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2345 ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' 2341 ' ' PHE . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2346 ' ' LEU . . . . . 0.661 ' HG ' ' HZ3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2347 ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2350 ' ' LYS . . . . . 0.661 ' HZ3' ' HG ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2360 ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2363 ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2364 ' ' SER . . . . . 0.605 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2365 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2366 ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2367 ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2369 ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2370 ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2371 ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2378 ' ' ALA . . . . . 0.48 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2379 ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2381 ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2389 ' ' TRP . . . . . 0.466 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2390 ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2394 ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2396 ' ' ALA . . . . . 0.577 ' O ' HG12 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2397 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2400 ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2404 ' ' THR . . . . . 0.448 HG21 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2405 ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' 2408 ' ' CYS . 4.0 t-20 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2408 ' ' CYS . . . . . 0.525 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2411 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2412 ' ' ASN . . . . . 0.429 HD21 HD22 ' A' 2326 ' ' LEU . 18.8 t-20 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2415 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2420 ' ' SER . . . . . 0.662 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2423 ' ' LYS . . . . . 0.662 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2425 ' ' ILE . . . . . 0.44 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2429 ' ' LYS . . . . . 0.44 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2431 ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' 2427 ' ' SER . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2434 ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2435 ' ' THR . . . . . 0.6 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2437 ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2438 ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2440 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2443 ' ' LYS . . . . . 0.606 ' HZ1' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2444 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2446 ' ' ALA . . . . . 0.555 ' HB3' ' HE3' ' A' 2453 ' ' MET . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2447 ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2448 ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' 2448 ' ' GLN . 2.4 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2450 ' ' SER . . . . . 0.625 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2453 ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2456 ' ' LEU . . . . . 0.527 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2457 ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2459 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2463 ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' 2459 ' ' ALA . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2470 ' ' LEU . . . . . 0.511 HD13 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2473 ' ' ALA . . . . . 0.718 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2475 ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2476 ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.362 -0.695 . . . . 1.0 111.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 10.4 tt -84.4 82.21 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.85 0.833 . . . . 1.0 110.227 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.13 145.14 30.03 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.818 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2297 ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' 2298 ' ' PHE . 72.4 Cg_endo -74.95 6.04 3.61 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 C-N-CA 123.567 2.845 . . . . 1.0 113.615 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2298 ' ' PHE . . . . . 0.453 ' CD2' ' HG2' ' A' 2297 ' ' PRO . 89.0 m-85 -130.15 -2.32 4.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 19.6 p 44.91 60.39 2.97 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.434 0.635 . . . . 1.0 110.979 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.497 ' HB2' HG22 ' A' 2303 ' ' VAL . 11.4 m-20 -59.41 139.02 88.96 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 114.957 -1.02 . . . . 1.0 110.158 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.481 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.412 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.497 HG22 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.536 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.492 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.445 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.49 116.58 27.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 53.5 tptt -92.65 118.4 67.96 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.808 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.435 ' HG3' HD23 ' A' 2346 ' ' LEU . 17.3 Cg_exo -67.44 166.38 23.9 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.858 2.372 . . . . 1.0 112.533 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2329 ' ' ARG . . . . . 0.548 ' HD2' ' HA2' ' A' 2417 ' ' GLY . 78.1 mtp180 -78.65 67.9 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.108 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -123.14 110.59 15.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.682 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mttm -132.74 148.12 68.24 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.972 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.69 63.91 4.77 Favored 'Trans proline' 0 C--N 1.334 -0.205 0 C-N-CA 123.435 2.757 . . . . 1.0 111.926 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.626 ' HB3' ' HZ3' ' A' 2333 ' ' LYS . 9.3 mtpm? -124.75 -174.82 3.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.46 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.03 78.31 7.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.054 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.33 65.95 1.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.64 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.38 90.93 8.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.639 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.9 172.92 12.31 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.426 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.4 m -90.47 28.22 1.53 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.706 0.765 . . . . 1.0 109.755 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 94.8 mt -109.34 67.92 0.66 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.119 -0.946 . . . . 1.0 111.749 -171.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -99.54 29.56 4.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 169.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.574 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.456 ' OE1' ' HB2' ' A' 2329 ' ' ARG . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.574 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.435 HD23 ' HG3' ' A' 2328 ' ' PRO . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.432 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.428 HD12 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2353 ' ' ALA . . . . . 0.445 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.447 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2365 ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2368 ' ' ARG . . . . . 0.492 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.778 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.778 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.412 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.513 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2383 ' ' ALA . . . . . 0.513 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.415 HD11 ' O ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.452 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.536 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.476 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.597 ' O ' HG11 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.431 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.597 HG11 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.734 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.522 HD22 HG22 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2413 ' ' ALA . . . . . 0.407 ' HB3' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2417 ' ' GLY . . . . . 0.548 ' HA2' ' HD2' ' A' 2329 ' ' ARG . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2418 ' ' HIS . . . . . 0.407 ' HB3' ' HB3' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.454 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG21 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.734 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.479 ' HB2' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.424 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.501 HG21 HG23 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.505 ' HB2' HG12 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2442 ' ' CYS . . . . . 0.513 ' SG ' HD12 ' A' 2456 ' ' LEU . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.59 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.435 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.59 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD21 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.494 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.501 HG23 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.479 ' CD ' ' HB2' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.522 HD13 HG22 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.565 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.544 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -127.57 147.34 50.34 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -100.75 88.84 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.816 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -119.03 84.73 2.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.458 0.647 . . . . 1.0 109.441 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -77.56 102.35 6.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.805 -1.089 . . . . 1.0 110.605 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.175 -0.917 . . . . 1.0 109.552 177.464 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.987 -0.445 . . . . 1.0 111.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 2295 ' ' ILE . . . . . 0.687 HD11 ' H ' ' A' 2295 ' ' ILE . 0.2 OUTLIER -83.15 -16.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 1.0 110.741 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.2 p30 -108.29 149.08 38.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 1.0 110.449 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.48 15.26 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 123.864 3.043 . . . . 1.0 113.338 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -103.43 -28.4 11.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.362 0.601 . . . . 1.0 110.839 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2299 ' ' THR . . . . . 0.402 ' HB ' HD13 ' A' 2304 ' ' ILE . 3.7 p -90.33 70.73 7.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.507 -0.77 . . . . 1.0 112.168 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.21 115.35 17.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.402 HD13 ' HB ' ' A' 2299 ' ' THR . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.572 ' HG3' ' HG ' ' A' 2364 ' ' SER . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.441 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.492 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.598 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.555 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.598 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt -94.58 108.71 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -120.24 112.69 34.37 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.801 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.529 ' CD ' HD23 ' A' 2346 ' ' LEU . 48.7 Cg_exo -56.57 135.44 70.4 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.548 2.166 . . . . 1.0 110.505 171.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -126.72 96.52 4.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.964 0.411 . . . . 1.0 110.178 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -68.29 120.53 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.978 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.615 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 40.0 mmtm -67.62 152.57 96.15 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.788 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.7 84.2 0.08 OUTLIER 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.102 2.535 . . . . 1.0 112.501 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.615 ' HE2' ' HB2' ' A' 2331 ' ' LYS . 36.9 mtmt -139.08 -162.68 1.35 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.058 . . . . 1.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2334 ' ' GLU . . . . . 0.433 ' HG3' ' H ' ' A' 2336 ' ' ASP . 14.0 pt-20 -88.71 169.18 11.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -88.7 15.66 7.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.967 0.413 . . . . 1.0 111.796 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.433 ' H ' ' HG3' ' A' 2334 ' ' GLU . 22.2 t70 -76.93 113.85 15.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.766 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 53.34 -99.75 0.09 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 123.958 0.786 . . . . 1.0 111.809 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m 57.85 35.77 25.73 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.552 0.533 . . . . 1.0 110.917 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.525 ' HB3' ' HG3' ' A' 2342 ' ' GLU . 38.8 mt 58.43 84.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.048 -0.978 . . . . 1.0 112.316 -177.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.437 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.5 t-20 -81.49 -18.6 44.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 172.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.467 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.525 ' HG3' ' HB3' ' A' 2339 ' ' LEU . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.495 HG22 HD13 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.529 HD23 ' CD ' ' A' 2328 ' ' PRO . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.451 HD21 HG21 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2360 ' ' VAL . . . . . 0.441 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.572 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.581 ' HA ' ' HB2' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.64 ' O ' HG22 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.684 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.444 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.461 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2388 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 2384 ' ' LEU . 25.9 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.443 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.51 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.616 HG23 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.433 HG23 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.507 ' HB2' HG23 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.492 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.603 ' O ' HG22 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2413 ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2418 ' ' HIS . . . . . 0.438 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.546 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.546 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2426 ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.526 ' O ' HG22 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2430 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB3' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.616 ' HA ' HG23 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.74 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.457 ' HB2' HG22 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' 2439 ' ' LEU . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.684 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2449 ' ' ASP . . . . . 0.447 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2451 ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.581 ' HB2' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.421 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2455 ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.514 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.467 ' O ' HG22 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.407 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2461 ' ' ASN . . . . . 0.506 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.51 HG23 ' CG2' ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2465 ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.45 ' OG ' ' HB3' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.495 HD13 HG22 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.467 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -147.25 172.95 13.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -119.14 99.62 6.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.985 0.421 . . . . 1.0 111.093 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -119.42 79.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.82 78.86 1.36 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.8 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.482 -0.77 . . . . 1.0 109.775 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.089 -0.404 . . . . 1.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 2295 ' ' ILE . . . . . 0.44 ' O ' HG12 ' A' 2295 ' ' ILE . 10.5 tt -165.95 27.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 122.572 1.177 . . . . 1.0 107.831 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -146.81 149.33 35.92 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.34 -1.3 . . . . 1.0 111.458 -167.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -87.12 13.77 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.6 2.867 . . . . 1.0 112.027 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -98.63 -7.67 27.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.47 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 1.1 p -105.77 23.52 13.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.962 0.887 . . . . 1.0 110.575 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.419 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 -83.08 138.14 42.76 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.384 -1.28 . . . . 1.0 108.69 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.535 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.424 ' CG ' ' HG ' ' A' 2357 ' ' SER . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt -66.91 -58.94 4.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 55.06 90.98 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 O-C-N 124.151 0.907 . . . . 1.0 112.465 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.17 95.28 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.479 2.119 . . . . 1.0 111.462 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -84.2 67.44 9.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.155 0.502 . . . . 1.0 111.247 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -156.39 101.49 2.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.161 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -90.7 144.53 30.57 Favored Pre-proline 0 N--CA 1.444 -0.733 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.73 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.065 2.51 . . . . 1.0 112.147 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -131.25 19.59 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.452 0.644 . . . . 1.0 110.265 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.36 134.23 1.46 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.735 -1.12 . . . . 1.0 109.107 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 54.76 57.03 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.775 0.672 . . . . 1.0 110.874 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.8 97.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.168 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.44 -166.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.158 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 3.9 p -88.95 34.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.314 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 95.1 mt -100.83 87.72 3.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.212 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 -133.02 13.8 4.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.133 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.494 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.479 HG21 HD13 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.608 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.608 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2357 ' ' SER . . . . . 0.424 ' HG ' ' CG ' ' A' 2317 ' ' GLU . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.493 HD12 HD21 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.53 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG21 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.499 ' HG ' HG12 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.451 ' HB2' HG22 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.415 HG23 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.415 ' H ' HG23 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.723 HD11 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 2385 ' ' ASP . . . . . 0.723 ' H ' HD11 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.473 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.506 ' O ' HG12 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.402 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.517 HG11 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.484 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2421 ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' 2475 ' ' GLN . 51.6 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2422 ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.511 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2424 ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.465 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.517 ' HA ' HG11 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.721 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2437 ' ' GLN . . . . . 0.429 ' HB3' ' O ' ' A' 2434 ' ' SER . 7.9 tp-100 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.514 ' HB2' HG13 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.721 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.448 ' O ' HG22 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.579 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.402 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.463 ' O ' HG21 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.521 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2461 ' ' ASN . . . . . 0.535 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.463 HG21 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.465 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2465 ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.479 HD13 HG21 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.503 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.494 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' 2421 ' ' GLN . 66.8 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -154.73 95.82 1.81 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2479 ' ' ALA . . . . . 0.524 ' HB1' ' HG3' ' A' 2481 ' ' GLU . . . -78.99 134.05 36.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.286 -171.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -93.02 21.87 5.42 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.736 -1.12 . . . . 1.0 109.852 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 2481 ' ' GLU . . . . . 0.524 ' HG3' ' HB1' ' A' 2479 ' ' ALA . 39.6 mt-10 -66.97 97.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.275 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.458 -0.782 . . . . 1.0 109.885 -178.267 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.267 -0.333 . . . . 1.0 112.267 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 57.9 mt -120.48 121.77 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 1.0 110.418 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.57 135.09 68.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.933 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.42 3.59 6.77 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.209 2.606 . . . . 1.0 113.085 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2298 ' ' PHE . . . . . 0.466 ' O ' ' HB ' ' A' 2299 ' ' THR . 70.8 m-85 -130.97 -77.17 0.53 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.914 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2299 ' ' THR . . . . . 0.466 ' HB ' ' O ' ' A' 2298 ' ' PHE . 14.8 t 171.51 35.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.43 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 -59.65 115.0 10.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 114.402 -1.272 . . . . 1.0 110.932 -174.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.438 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.521 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.74 ' HG3' ' HG ' ' A' 2364 ' ' SER . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2308 ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.508 ' HZ1' ' HB2' ' A' 2322 ' ' LYS . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt -66.09 -44.01 85.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.458 ' HB2' ' HZ3' ' A' 2327 ' ' LYS . 4.6 ttmp? 71.53 122.95 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.283 0 O-C-N 124.087 0.867 . . . . 1.0 112.036 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.91 143.38 72.77 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.36 2.04 . . . . 1.0 110.424 172.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.66 78.55 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.211 0.529 . . . . 1.0 110.899 -176.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.07 93.0 6.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.583 -0.735 . . . . 1.0 109.952 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.484 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 29.9 mmmt -104.56 162.47 19.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.416 -0.811 . . . . 1.0 109.649 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2332 ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 27.0 Cg_endo -66.19 58.39 0.45 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.231 2.62 . . . . 1.0 113.311 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? 174.33 175.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.707 1.203 . . . . 1.0 108.584 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2334 ' ' GLU . . . . . 0.575 ' HG3' ' H ' ' A' 2336 ' ' ASP . 9.6 tp10 -86.06 140.66 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.927 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -117.9 23.46 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.322 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.575 ' H ' ' HG3' ' A' 2334 ' ' GLU . 28.2 t70 -78.22 105.68 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.306 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -143.38 173.54 11.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.495 -0.775 . . . . 1.0 109.188 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m -82.46 36.2 0.47 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.329 0.585 . . . . 1.0 110.926 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.515 HD13 ' C ' ' A' 2339 ' ' LEU . 0.9 OUTLIER -139.06 22.04 2.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.695 179.737 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' 2343 ' ' GLU . 3.7 p-10 -85.44 14.78 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.327 -0.852 . . . . 1.0 110.341 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.507 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.423 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.573 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.507 HG23 HD13 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.555 HG23 HG22 ' A' 2435 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.74 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.498 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.457 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.544 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.652 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.544 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.731 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.652 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2382 ' ' ASN . . . . . 0.535 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.731 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.521 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.557 HG22 HD23 ' A' 2438 ' ' LEU . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.554 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.601 ' O ' HG22 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.502 ' HA ' HD12 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2414 ' ' ALA . . . . . 0.54 ' HA ' ' HB3' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2419 ' ' ALA . . . . . 0.54 ' HB3' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.58 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2422 ' ' GLU . . . . . 0.447 ' HA ' ' HZ ' ' A' 2480 ' ' PHE . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.58 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.488 HD11 ' CE2' ' A' 2480 ' ' PHE . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.544 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.455 ' HE2' HG21 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.555 HG22 HG23 ' A' 2356 ' ' THR . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.688 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.557 HD23 HG22 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.688 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.412 ' O ' HG21 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.74 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2449 ' ' ASP . . . . . 0.412 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.485 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.498 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.74 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.64 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.495 ' HA ' HD21 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2461 ' ' ASN . . . . . 0.56 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2465 ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2468 ' ' ASP . . . . . 0.498 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.507 HD13 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.507 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' 2471 ' ' VAL . 76.8 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.555 ' HZ3' ' HB3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' 2480 ' ' PHE . . . -105.56 160.42 15.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -104.81 33.65 3.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.891 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' 2425 ' ' ILE . 81.5 m-85 -82.37 67.01 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.543 0.687 . . . . 1.0 110.302 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.89 46.65 1.29 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.161 -0.927 . . . . 1.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 114.786 -1.097 . . . . 1.0 109.912 179.441 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.853 -0.499 . . . . 1.0 111.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 35.8 pt -81.78 4.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 1.0 110.569 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.05 152.61 41.5 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.14 -0.936 . . . . 1.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.57 9.49 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.106 2.537 . . . . 1.0 112.125 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.93 18.38 22.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.15 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 7.4 t -80.16 65.16 5.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.869 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.461 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 -62.77 122.83 76.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.435 -0.802 . . . . 1.0 109.563 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.666 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.433 ' HG1' ' HZ3' ' A' 2389 ' ' TRP . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.57 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.574 ' HG3' ' HG ' ' A' 2364 ' ' SER . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2307 ' ' ASN . . . . . 0.427 ' N ' HD21 ' A' 2307 ' ' ASN . 0.9 OUTLIER -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2312 ' ' ALA . . . . . 0.555 ' HB3' ' HB1' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2318 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.443 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.612 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.49 ' HG ' ' HG ' ' A' 2408 ' ' CYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt -103.4 161.57 13.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.545 ' HD2' ' HA ' ' A' 2330 ' ' ALA . 25.0 ttmm -119.36 122.71 29.21 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.815 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -61.42 107.43 0.49 Allowed 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.502 2.135 . . . . 1.0 110.792 173.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2329 ' ' ARG . . . . . 0.818 ' HD2' ' HD3' ' A' 2333 ' ' LYS . 38.5 ttp180 64.18 81.37 0.21 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.527 -0.76 . . . . 1.0 109.427 -172.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2330 ' ' ALA . . . . . 0.545 ' HA ' ' HD2' ' A' 2327 ' ' LYS . . . -68.1 156.83 36.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.498 ' HB2' ' HD2' ' A' 2332 ' ' PRO . 23.7 pttm 55.51 156.3 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 125.269 1.428 . . . . 1.0 113.618 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2332 ' ' PRO . . . . . 0.498 ' HD2' ' HB2' ' A' 2331 ' ' LYS . 18.9 Cg_endo -62.08 88.13 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.924 2.416 . . . . 1.0 112.291 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.818 ' HD3' ' HD2' ' A' 2329 ' ' ARG . 49.2 tttp -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.545 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2334 ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' 2336 ' ' ASP . 41.4 tt0 -70.64 164.09 25.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 177.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -73.02 17.22 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.446 ' H ' ' C ' ' A' 2334 ' ' GLU . 16.1 t70 -81.42 108.86 15.37 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.591 -0.892 . . . . 1.0 108.591 173.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.65 -70.23 0.31 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.664 0.269 . . . . 1.0 111.128 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2338 ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' 2339 ' ' LEU . 71.7 m 58.06 50.41 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.532 -176.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' 2338 ' ' SER . 95.2 mt 75.51 131.06 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.304 -1.316 . . . . 1.0 110.974 -176.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.54 28.73 1.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.61 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.403 ' O ' HG22 ' A' 2415 ' ' VAL . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.664 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.61 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' 2350 ' ' LYS . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.664 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.468 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.643 HD12 HD13 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.574 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.493 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.493 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.442 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.43 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2383 ' ' ALA . . . . . 0.666 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.442 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.433 ' HZ3' ' HG1' ' A' 2302 ' ' THR . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.429 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2395 ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.653 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.514 ' O ' HG21 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.481 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.653 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.534 HD21 HG22 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.49 ' HG ' ' HG ' ' A' 2323 ' ' LEU . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.61 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2422 ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.7 HG21 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG21 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.555 HG21 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.631 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.629 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.505 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.672 HD21 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.42 ' HA ' ' HB1' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.592 ' HB2' ' HE1' ' A' 2453 ' ' MET . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.445 ' HB1' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.592 ' HE1' ' HB2' ' A' 2446 ' ' ALA . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.643 HD13 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.672 ' HA ' HD21 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.406 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.522 HD13 HG22 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.7 HG13 HG21 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.748 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.664 ' HB3' ' HB2' ' A' 2480 ' ' PHE . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.748 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -128.09 -89.51 0.53 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -173.25 25.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.417 . . . . 1.0 110.623 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.664 ' HB2' ' HB3' ' A' 2475 ' ' GLN . 97.0 m-85 -104.1 61.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.95 0.405 . . . . 1.0 111.191 -174.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -89.33 78.96 7.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.396 -0.965 . . . . 1.0 108.396 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.801 -1.091 . . . . 1.0 110.057 -172.193 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 111.921 -0.472 . . . . 1.0 111.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 62.2 mt -90.97 -72.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.509 ' HB3' ' HD2' ' A' 2297 ' ' PRO . 10.5 m-20 67.56 158.2 0.14 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.07 0.857 . . . . 1.0 112.211 168.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2297 ' ' PRO . . . . . 0.509 ' HD2' ' HB3' ' A' 2296 ' ' ASP . 18.8 Cg_endo -64.82 -70.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.367 2.045 . . . . 1.0 112.005 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2298 ' ' PHE . . . . . 0.431 ' CD2' HG22 ' A' 2299 ' ' THR . 28.3 p90 -145.6 3.09 0.97 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.699 -0.682 . . . . 1.0 112.363 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2299 ' ' THR . . . . . 0.431 HG22 ' CD2' ' A' 2298 ' ' PHE . 1.3 p -146.14 101.54 3.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.875 0.695 . . . . 1.0 112.875 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.575 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 -102.14 121.18 51.33 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 166.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.623 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.623 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2310 ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB1' ' HB3' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.507 HD11 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.441 HD13 HD21 ' A' 2412 ' ' ASN . 96.7 mt -98.1 120.37 38.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' 2328 ' ' PRO . 87.4 tttt -146.63 123.19 5.72 Favored Pre-proline 0 C--N 1.314 -0.937 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.663 ' HG3' ' HG2' ' A' 2343 ' ' GLU . 10.2 Cg_endo -53.69 106.3 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.016 2.477 . . . . 1.0 111.926 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.83 135.0 34.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -70.83 107.28 3.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.324 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.443 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 34.9 mmtp -80.15 153.63 74.59 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 115.375 -0.829 . . . . 1.0 109.231 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.0 86.84 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.724 2.283 . . . . 1.0 111.198 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.53 ' HD3' ' O ' ' A' 2336 ' ' ASP . 67.4 mttm -111.95 142.36 44.46 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.297 -0.865 . . . . 1.0 110.502 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -129.41 97.98 4.73 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 67.44 19.31 10.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.597 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.53 ' O ' ' HD3' ' A' 2333 ' ' LYS . 27.6 t70 -109.77 105.37 14.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.106 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.06 131.18 50.24 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.318 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 22.6 m -99.59 26.89 5.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.631 0.729 . . . . 1.0 109.336 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 75.4 mt 66.39 163.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.052 -1.431 . . . . 1.0 111.571 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.542 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 -84.74 0.99 48.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.596 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.663 ' HG2' ' HG3' ' A' 2328 ' ' PRO . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.542 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.596 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB3' ' HB1' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.434 HG21 HG22 ' A' 2435 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' 2435 ' ' THR . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.555 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' 2371 ' ' VAL . 35.5 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.454 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.425 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.423 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.555 ' HB3' ' HB1' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.438 ' O ' HG23 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.537 HG21 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.504 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.622 HD23 HG23 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.504 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2409 ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.441 HD21 HD13 ' A' 2326 ' ' LEU . 23.2 t-20 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.502 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.502 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.529 ' O ' HG22 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.622 HG23 HD23 ' A' 2407 ' ' LEU . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.774 ' HB3' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.591 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.62 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.497 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.62 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.537 ' HZ2' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.423 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.555 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2455 ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.453 HD21 HD11 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.453 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.774 ' HD2' ' HB3' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.458 ' HB2' ' HB1' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.5 HD11 HG22 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.573 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.535 ' HZ1' ' HB3' ' A' 2476 ' ' LYS . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -143.13 -37.02 0.37 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 67.67 95.11 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 O-C-N 123.977 0.798 . . . . 1.0 111.36 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -103.91 16.01 27.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.679 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -90.64 97.02 10.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 1.0 110.648 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.569 -0.729 . . . . 1.0 110.379 -179.392 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.186 -0.366 . . . . 1.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.88 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 1.0 110.349 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -111.38 153.46 44.1 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.624 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.65 17.1 1.17 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.081 2.521 . . . . 1.0 113.032 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -108.13 -3.31 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 1.0 110.558 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2299 ' ' THR . . . . . 0.429 ' HB ' HD12 ' A' 2304 ' ' ILE . 1.0 OUTLIER -115.29 83.36 1.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.439 0.638 . . . . 1.0 110.986 -177.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.437 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 -68.9 128.78 92.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.346 -0.843 . . . . 1.0 109.405 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.431 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 2300 ' ' ASP . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.712 ' HB3' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2310 ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2312 ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.437 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.461 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt -80.38 123.61 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.545 ' HD2' ' HD2' ' A' 2328 ' ' PRO . 54.7 tptt -134.14 117.89 13.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.694 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.545 ' HD2' ' HD2' ' A' 2327 ' ' LYS . 26.3 Cg_exo -62.4 101.17 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.589 2.193 . . . . 1.0 111.808 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -82.97 75.88 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.146 0.498 . . . . 1.0 110.231 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -131.01 103.43 6.52 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.011 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 21.4 pttm -60.84 148.49 82.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.536 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.18 91.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.598 2.865 . . . . 1.0 112.858 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.538 ' HB2' ' HZ1' ' A' 2333 ' ' LYS . 4.8 ttmp? -110.84 125.93 54.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.914 175.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.91 106.57 10.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.51 30.82 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.908 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 38.1 t70 63.53 65.35 0.75 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.845 . . . . 1.0 110.116 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.44 148.66 52.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.982 -1.008 . . . . 1.0 110.398 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.2 m -115.49 37.17 3.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.674 0.75 . . . . 1.0 109.036 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.9 mt -87.22 53.88 2.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.964 -1.016 . . . . 1.0 110.914 -173.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.546 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 -99.41 16.51 22.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.882 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.622 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.632 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.622 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.437 HD11 HD21 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.555 HG22 HG23 ' A' 2435 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2365 ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.456 ' HG3' ' HB1' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.424 HG12 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.424 ' CB ' HG12 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.477 HD13 ' N ' ' A' 2379 ' ' ILE . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.456 ' H ' HG23 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.431 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.418 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.712 ' HB2' ' HB3' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.612 ' O ' HG11 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.612 HG11 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.622 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.415 HG22 HG13 ' A' 2431 ' ' VAL . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.495 ' HB2' HG22 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.581 ' O ' HG22 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.5 ' HA ' HD12 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.766 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.766 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.515 ' O ' HG21 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' 2427 ' ' SER . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.515 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.47 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.577 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.695 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2437 ' ' GLN . . . . . 0.47 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.473 HD21 HG22 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG21 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.418 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.609 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.609 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.614 HD21 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.608 ' HA ' HD22 ' A' 2439 ' ' LEU . 8.9 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.565 ' O ' HG21 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.505 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.565 HG21 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.515 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.517 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2472 ' ' LYS . . . . . 0.618 ' HA ' HE21 ' A' 2475 ' ' GLN . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.819 ' HA ' ' HD2' ' A' 2480 ' ' PHE . 45.4 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.404 ' HB2' ' CE2' ' A' 2480 ' ' PHE . . . -145.27 1.22 0.94 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.11 76.04 0.25 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.815 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.819 ' HD2' ' HA ' ' A' 2475 ' ' GLN . 40.0 m-85 -102.18 16.42 26.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 1.0 111.0 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.59 95.01 8.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.697 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.948 0 O-C-N 124.144 0.903 . . . . 1.0 110.807 -175.088 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.1 -42.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.892 0.377 . . . . 1.0 110.449 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.0 143.27 30.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.275 0.559 . . . . 1.0 110.62 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.69 -1.22 11.3 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.612 2.874 . . . . 1.0 114.805 -174.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.3 p90 -114.19 12.54 17.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.584 0.587 . . . . 1.0 112.584 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.69 69.89 4.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.245 0.545 . . . . 1.0 111.639 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.434 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 -79.05 128.32 76.65 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.585 ' HG2' ' HG ' ' A' 2357 ' ' SER . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.447 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt -73.48 134.99 44.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 54.7 tttp -161.36 125.64 2.03 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.649 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 6.7 Cg_exo -73.47 84.96 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.856 2.37 . . . . 1.0 111.915 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -137.59 87.26 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.015 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2330 ' ' ALA . . . . . 0.599 ' O ' ' HG2' ' A' 2331 ' ' LYS . . . -99.27 108.8 21.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.599 ' HG2' ' O ' ' A' 2330 ' ' ALA . 12.8 ptmt 60.78 154.8 0.11 Allowed Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.442 1.089 . . . . 1.0 111.946 -171.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.84 64.07 3.19 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.856 2.371 . . . . 1.0 111.916 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 64.2 tttm -75.54 150.14 38.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.801 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.18 143.31 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.189 -0.3 . . . . 1.0 110.189 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -76.98 78.96 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.178 0.513 . . . . 1.0 111.467 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -137.71 99.86 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.824 175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 48.67 -95.09 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.077 0.861 . . . . 1.0 111.865 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.6 m 59.19 38.18 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.196 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 97.6 mt 61.59 84.87 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.808 -1.087 . . . . 1.0 110.754 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 -85.93 -1.36 57.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.649 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2340 ' ' ASN . 16.7 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' 2341 ' ' PHE . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.429 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.658 HG23 HG21 ' A' 2435 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2357 ' ' SER . . . . . 0.585 ' HG ' ' HG2' ' A' 2317 ' ' GLU . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.45 ' HA ' HD11 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.504 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.654 ' O ' HG23 ' A' 2371 ' ' VAL . 39.6 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.407 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.505 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.452 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.628 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.55 ' O ' HG11 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.573 HG23 HD21 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 2431 ' ' VAL . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' 2401 ' ' ALA . 11.3 t-20 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.521 ' HB2' HG22 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.558 ' O ' HG21 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.482 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.502 ' O ' HG21 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' 2407 ' ' LEU . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.66 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.658 HG21 HG23 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.713 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.573 HD21 HG23 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.713 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.7 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.505 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.7 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.46 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2451 ' ' GLU . . . . . 0.435 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.504 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.445 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.66 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2465 ' ' ARG . . . . . 0.595 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2466 ' ' ALA . . . . . 0.595 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.524 HD13 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.54 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.476 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -137.52 -48.58 0.58 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.7 101.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 123.721 0.638 . . . . 1.0 111.429 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.89 16.96 22.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.915 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 59.66 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.503 -176.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.637 -0.697 . . . . 1.0 109.741 177.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 2294 ' ' GLY . . . . . 0.455 ' HA3' HD12 ' A' 2379 ' ' ILE . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 15.3 tt -179.61 133.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 122.718 0.407 . . . . 1.0 109.926 176.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.507 ' HB2' ' HD2' ' A' 2298 ' ' PHE . 4.0 p30 -137.19 151.82 72.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 1.0 111.358 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.42 11.39 3.2 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.29 2.66 . . . . 1.0 112.6 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2298 ' ' PHE . . . . . 0.507 ' HD2' ' HB2' ' A' 2296 ' ' ASP . 90.0 m-85 -90.8 -66.31 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.943 0.402 . . . . 1.0 110.802 -176.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 11.6 t -158.99 33.34 0.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.424 0.631 . . . . 1.0 111.438 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 -64.75 126.77 91.61 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.405 -0.816 . . . . 1.0 109.23 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.479 ' HA ' HD13 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2308 ' ' GLU . . . . . 0.405 ' HG3' HD12 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.412 ' HG ' ' HG ' ' A' 2408 ' ' CYS . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.14 142.34 52.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 29.6 ttpp -127.27 116.74 21.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.784 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' 2327 ' ' LYS . 24.3 Cg_exo -63.27 123.33 11.96 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.87 2.38 . . . . 1.0 112.337 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -93.39 130.27 39.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.986 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -138.81 114.66 10.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.298 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 64.0 pttt -71.19 147.13 93.19 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.438 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2332 ' ' PRO . . . . . 0.48 ' O ' ' HB2' ' A' 2333 ' ' LYS . 30.8 Cg_endo -64.81 90.87 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.87 2.38 . . . . 1.0 112.335 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' 2332 ' ' PRO . 21.6 ttpp 174.57 29.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.986 -1.007 . . . . 1.0 109.086 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2334 ' ' GLU . . . . . 0.501 ' HA ' HD13 ' A' 2339 ' ' LEU . 2.8 mp0 -76.93 91.15 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 1.0 111.03 -174.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -119.7 57.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.556 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 22.5 t70 53.35 74.76 0.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.969 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2337 ' ' GLU . . . . . 0.408 ' C ' ' H ' ' A' 2339 ' ' LEU . 48.2 mt-10 -136.67 -148.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.44 -0.8 . . . . 1.0 109.01 178.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 21.5 m -85.05 24.35 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.601 0.715 . . . . 1.0 110.359 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' 2334 ' ' GLU . 81.0 mt -100.62 146.32 27.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.105 -0.952 . . . . 1.0 109.187 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.53 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 70.63 6.74 5.95 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.84 0.712 . . . . 1.0 110.123 -173.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.51 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.444 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.538 HG21 HD22 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.593 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.593 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.514 HG22 HG11 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' 2447 ' ' ASP . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.455 ' CB ' HG12 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.455 HD12 ' HA3' ' A' 2294 ' ' GLY . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.477 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.523 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.578 HG23 HD22 ' A' 2438 ' ' LEU . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.465 HG23 HG12 ' A' 2431 ' ' VAL . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.501 ' HB2' HG23 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.412 ' HG ' ' HG ' ' A' 2323 ' ' LEU . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.544 ' O ' HG21 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.544 HG21 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.59 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.59 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.529 ' O ' HG22 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' 2427 ' ' SER . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.569 ' HB3' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.568 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.691 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.578 HD22 HG23 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.691 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.425 ' O ' HG22 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.586 ' HB2' ' HE1' ' A' 2453 ' ' MET . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.587 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.587 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.586 ' HE1' ' HB2' ' A' 2443 ' ' LYS . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.616 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.664 ' HA ' HD22 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.495 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.514 HG11 HG22 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.569 ' HD3' ' HB3' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.538 HD22 HG21 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.496 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.0 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -151.69 -171.06 3.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -124.5 95.36 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.946 0.403 . . . . 1.0 110.467 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -111.73 10.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.762 0.791 . . . . 1.0 109.393 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.76 81.97 5.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.609 -1.178 . . . . 1.0 110.689 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.819 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.083 -0.407 . . . . 1.0 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 5.4 tp -158.88 114.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.16 143.35 93.91 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.62 0.724 . . . . 1.0 111.336 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -87.26 9.4 3.93 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.683 2.922 . . . . 1.0 112.257 177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -95.37 -42.18 8.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.827 -176.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 11.4 t 48.78 53.18 12.79 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 124.374 1.046 . . . . 1.0 110.788 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.62 115.25 8.95 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.569 -1.196 . . . . 1.0 110.057 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.683 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.526 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.44 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.733 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2310 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.423 ' HB3' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.413 ' HA ' HD13 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.442 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.522 HD12 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt -66.05 143.63 57.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.1 tttp -132.29 108.63 13.62 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.28 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -71.25 124.53 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.396 2.064 . . . . 1.0 111.163 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.41 132.97 55.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.267 0.556 . . . . 1.0 110.657 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -107.86 121.08 44.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.213 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.799 ' HB2' ' HE3' ' A' 2333 ' ' LYS . 31.3 mmmt -61.44 147.07 88.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.441 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.49 87.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.75 2.3 . . . . 1.0 111.575 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.799 ' HE3' ' HB2' ' A' 2331 ' ' LYS . 87.2 mttt -119.79 146.27 45.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.759 . . . . 1.0 109.773 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -96.12 19.07 12.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.216 1.008 . . . . 1.0 109.021 173.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -100.81 110.32 22.39 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.369 -1.287 . . . . 1.0 109.717 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.22 99.85 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.373 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -113.76 101.79 9.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 65.54 6.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.567 0.698 . . . . 1.0 110.882 -174.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.61 95.73 5.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.949 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.541 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 -96.71 19.47 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.025 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.548 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.464 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.438 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.464 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2361 ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.621 ' O ' HG22 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' 2373 ' ' GLN . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.524 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.524 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.611 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.501 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2383 ' ' ALA . . . . . 0.683 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.484 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.47 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.733 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.537 ' O ' HG12 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.555 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.455 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.425 HG23 HG12 ' A' 2431 ' ' VAL . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.558 ' HB2' HG22 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.522 ' SG ' HD12 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG21 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' 2416 ' ' GLN . 26.2 t-20 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2414 ' ' ALA . . . . . 0.492 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2419 ' ' ALA . . . . . 0.492 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.549 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.549 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.475 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG21 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' 2407 ' ' LEU . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.427 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.555 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.562 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.529 HD23 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2442 ' ' CYS . . . . . 0.408 ' HG ' ' CB ' ' A' 2446 ' ' ALA . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.408 ' CB ' ' HG ' ' A' 2442 ' ' CYS . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.741 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.533 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.501 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.741 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.541 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.417 ' HA ' HD22 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.517 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.548 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.576 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2472 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.492 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' 2480 ' ' PHE . . . -128.99 -0.42 5.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.8 77.38 0.21 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.779 0.675 . . . . 1.0 111.806 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.463 ' CD1' ' HA ' ' A' 2475 ' ' GLN . 39.0 m-85 -93.87 71.04 4.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.0 110.973 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.13 93.17 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.217 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 114.939 -1.028 . . . . 1.0 110.629 -174.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.789 -0.525 . . . . 1.0 111.789 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 56.2 mt -90.46 82.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 175.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' 2380 ' ' PRO . 15.3 m-20 -111.41 145.92 33.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 1.0 110.681 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.91 -8.42 23.55 Favored 'Trans proline' 0 C--N 1.334 -0.201 0 C-N-CA 123.702 2.935 . . . . 1.0 113.819 -171.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 50.3 p90 -106.04 -2.47 22.72 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.215 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.6 p -109.14 76.5 1.01 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 1.0 111.187 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.568 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 -69.71 117.14 50.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.575 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.678 ' HB1' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.508 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2307 ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 4.8 p30 -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2308 ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' 2313 ' ' ALA . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.472 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.11 138.97 31.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.489 ' HE3' ' HB3' ' A' 2329 ' ' ARG . 8.2 tmtm? -95.63 117.25 66.59 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 116.078 -0.51 . . . . 1.0 109.678 -177.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.578 ' O ' ' HB2' ' A' 2329 ' ' ARG . 2.7 Cg_exo -74.24 63.57 5.27 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.085 2.523 . . . . 1.0 112.715 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2329 ' ' ARG . . . . . 0.578 ' HB2' ' O ' ' A' 2328 ' ' PRO . 27.8 tpt180 164.0 154.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.274 0.984 . . . . 1.0 108.998 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -72.95 137.44 45.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.26 150.92 61.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 1.0 111.279 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.35 91.68 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.287 2.658 . . . . 1.0 112.36 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.79 32.24 5.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.822 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.78 28.64 17.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.811 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -111.36 82.42 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.365 -0.834 . . . . 1.0 110.229 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.14 84.62 6.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.646 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -92.83 146.08 23.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.052 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.2 m -86.43 32.44 0.64 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.588 0.709 . . . . 1.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 86.8 mt -98.68 89.31 4.32 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 1.0 109.999 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' 2344 ' ' GLN . 3.6 t-20 -98.33 0.05 44.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.536 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.444 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' 2341 ' ' PHE . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.404 ' O ' ' HG3' ' A' 2350 ' ' LYS . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.484 ' HB2' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.657 HG22 HG11 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.559 HG21 HG21 ' A' 2435 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2357 ' ' SER . . . . . 0.413 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.508 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.54 ' O ' HG21 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.774 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.542 HD13 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.718 HG12 ' HB3' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.542 ' HB2' HD13 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.524 HG11 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.88 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.718 ' HB3' HG12 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.501 ' HB3' ' O ' ' A' 2296 ' ' ASP . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2382 ' ' ASN . . . . . 0.457 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.88 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.678 ' HB2' ' HB1' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.588 ' O ' HG11 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.423 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.593 HG13 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.544 HD22 HD11 ' A' 2352 ' ' ILE . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.574 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2421 ' ' GLN . . . . . 0.539 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.609 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.492 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.423 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.593 ' HA ' HG13 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.539 ' HB2' HG12 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.431 ' O ' HG21 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.431 HG21 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.774 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.493 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2461 ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.657 HG11 HG22 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.492 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.521 HD11 HG21 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2472 ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.523 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.539 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2477 ' ' ALA . . . . . 0.446 ' HB1' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -119.51 -169.84 1.83 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.38 32.43 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 19.1 p90 -120.51 19.83 11.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.71 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -96.59 45.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.917 0.865 . . . . 1.0 109.799 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 114.92 -1.036 . . . . 1.0 109.818 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.817 -0.513 . . . . 1.0 111.817 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.36 170.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.32 147.54 33.92 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.217 0.532 . . . . 1.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -84.75 18.98 1.46 Allowed 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 123.873 3.049 . . . . 1.0 112.661 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -108.94 -58.48 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 1.0 111.269 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 25.0 p 49.33 66.97 0.96 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.997 -1.001 . . . . 1.0 110.733 -171.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.479 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 -75.2 120.24 80.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.524 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.476 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.468 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.479 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.525 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2307 ' ' ASN . . . . . 0.525 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.428 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.553 HD11 HD11 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.553 HD11 HD11 ' A' 2323 ' ' LEU . 87.2 mt -70.89 95.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 12.2 tptp -85.44 141.84 37.11 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.31 -173.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.65 135.79 6.89 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.568 2.845 . . . . 1.0 112.618 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2329 ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' 2415 ' ' VAL . 28.0 mmm180 -113.96 -174.4 2.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.136 -173.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2330 ' ' ALA . . . . . 0.47 ' HB3' HD13 ' A' 2339 ' ' LEU . . . 69.25 155.69 0.13 Allowed 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.068 0.855 . . . . 1.0 112.61 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.33 151.33 77.94 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.649 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 83.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 123.022 2.481 . . . . 1.0 112.608 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.466 ' HG3' HD12 ' A' 2339 ' ' LEU . 33.7 mmtp -86.86 172.67 9.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.806 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.59 157.84 24.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.746 -0.835 . . . . 1.0 108.746 172.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -77.0 77.11 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -157.84 30.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.457 1.123 . . . . 1.0 109.167 169.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -139.59 153.69 47.43 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.837 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 50.5 m -82.63 35.19 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.161 0.505 . . . . 1.0 111.447 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.47 HD13 ' HB3' ' A' 2330 ' ' ALA . 95.2 mt -97.09 78.97 2.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.005 -0.739 . . . . 1.0 109.005 177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 169.83 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.52 -1.218 . . . . 1.0 108.953 -170.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.427 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' 2341 ' ' PHE . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.573 HG21 HG12 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.75 HG21 HG22 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2360 ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.491 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.427 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2368 ' ' ARG . . . . . 0.466 ' O ' HG11 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.494 ' O ' ' HG3' ' A' 2373 ' ' GLN . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.415 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.785 HG21 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' 2371 ' ' VAL . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.785 ' HB2' HG21 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.48 ' HB ' ' ND2' ' A' 2382 ' ' ASN . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2382 ' ' ASN . . . . . 0.48 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2383 ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.433 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2388 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.427 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.446 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.542 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2413 ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2418 ' ' HIS . . . . . 0.483 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.449 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.538 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.542 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.414 ' HB3' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.75 HG22 HG21 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.705 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG13 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.705 HD11 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.483 ' O ' HG21 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2442 ' ' CYS . . . . . 0.47 ' SG ' HD12 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.483 HG21 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.419 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.421 ' SD ' HD11 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.578 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.619 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.452 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.511 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.573 HG12 HG21 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.4 ' CD ' ' HB2' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2466 ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.414 ' CB ' ' HB3' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.513 HD21 HG21 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.472 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.459 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.472 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -115.75 -30.6 6.07 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 69.68 91.32 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.381 -0.827 . . . . 1.0 111.918 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -112.55 29.22 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 2481 ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' 2482 ' ' ASP . 36.2 tt0 -86.0 126.19 33.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.105 -0.952 . . . . 1.0 110.197 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 2482 ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' 2481 ' ' GLU . 13.2 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.822 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.443 -0.263 . . . . 1.0 112.443 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.41 -53.56 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.267 0.556 . . . . 1.0 110.521 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.45 148.34 83.09 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2297 ' ' PRO . . . . . 0.578 ' HA ' ' HG2' ' A' 2380 ' ' PRO . 84.0 Cg_endo -80.53 15.91 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 123.22 2.614 . . . . 1.0 112.935 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.44 0.16 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.145 0.497 . . . . 1.0 110.95 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.82 59.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.573 . . . . 1.0 110.461 175.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.83 118.98 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.861 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.62 ' HG3' ' HG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2312 ' ' ALA . . . . . 0.417 ' HB3' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2318 ' ' ALA . . . . . 0.413 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.585 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' 2319 ' ' ALA . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 14.4 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt -79.08 135.17 36.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.23 125.38 9.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.459 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.86 124.54 16.51 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.277 1.984 . . . . 1.0 110.506 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -47.53 114.83 0.96 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.996 0.81 . . . . 1.0 112.969 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.89 130.96 44.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.07 -0.968 . . . . 1.0 109.506 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' 2334 ' ' GLU . 8.3 mtpm? -89.27 155.21 49.19 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.139 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2332 ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 1.2 Cg_endo -48.0 95.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 124.079 3.186 . . . . 1.0 112.741 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 47.0 mtpt 62.82 30.64 16.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.95 -1.477 . . . . 1.0 111.343 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2334 ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' 2331 ' ' LYS . 34.6 tt0 -155.51 115.55 3.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.298 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -116.27 18.12 15.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -80.15 81.69 6.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.18 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -113.3 134.37 54.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 63.4 m -91.57 30.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.514 0.674 . . . . 1.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.28 105.6 5.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.887 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.538 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 -105.5 11.82 32.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.604 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.472 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.598 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.538 HG21 HD13 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.598 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.422 ' HA ' HD21 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.511 HG22 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.52 HG21 HG22 ' A' 2435 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2357 ' ' SER . . . . . 0.425 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.465 HD13 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2361 ' ' LYS . . . . . 0.425 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.62 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.58 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.528 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.525 HG21 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.424 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.44 ' CB ' HG11 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.426 HG21 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.578 ' HG2' ' HA ' ' A' 2297 ' ' PRO . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG21 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.725 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2387 ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.713 ' HB2' ' HZ3' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.488 ' HB3' ' HB1' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2391 ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.501 ' O ' HG11 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' 2434 ' ' SER . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.587 ' CG1' ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.583 ' O ' ' HB3' ' A' 2408 ' ' CYS . 21.9 t-20 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2406 ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' 2406 ' ' ASN . 0.9 OUTLIER -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.569 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.583 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.423 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2421 ' ' GLN . . . . . 0.447 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.423 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.573 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.582 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2427 ' ' SER . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.75 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.429 ' HB3' ' HE1' ' A' 2399 ' ' MET . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.727 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.522 ' HB2' HG12 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.415 ' O ' HG22 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.725 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.427 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.465 HD12 HD13 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' 2439 ' ' LEU . 9.3 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.47 ' O ' HG22 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.442 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.511 HG13 HG22 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.75 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.418 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.538 HD13 HG21 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.472 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.484 ' HZ1' ' HB3' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.447 ' HB2' HE21 ' A' 2421 ' ' GLN . . . -142.58 98.23 3.26 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.042 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.67 74.0 1.21 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.817 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -124.59 41.84 3.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.602 0.715 . . . . 1.0 110.168 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.327 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.25 157.12 29.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.923 0.392 . . . . 1.0 110.43 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.9 p30 -128.26 149.75 72.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.848 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2297 ' ' PRO . . . . . 0.471 ' HA ' ' OD2' ' A' 2300 ' ' ASP . 93.2 Cg_endo -77.97 17.23 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.355 2.703 . . . . 1.0 112.984 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -103.84 -24.55 13.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.243 0.544 . . . . 1.0 110.242 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 20.1 p -114.33 34.79 4.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.366 -0.834 . . . . 1.0 111.592 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' A' 2297 ' ' PRO . 9.2 m-20 -73.79 114.95 37.24 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 173.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2301 ' ' PRO . . . . . 0.475 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2316 ' ' ILE . . . . . 0.403 HG23 ' HG1' ' A' 2356 ' ' THR . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' 2323 ' ' LEU . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.415 HD12 HD12 ' A' 2326 ' ' LEU . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.415 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt -72.41 -44.97 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 52.3 tttm 71.96 140.06 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 O-C-N 123.841 0.713 . . . . 1.0 112.417 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -59.04 166.86 6.39 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.715 2.277 . . . . 1.0 111.755 171.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2329 ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' 2339 ' ' LEU . 33.5 mtp180 -70.96 169.89 13.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.284 0.564 . . . . 1.0 111.559 -175.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -73.92 -171.97 1.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.526 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -42.13 142.96 1.09 Allowed Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.724 -1.125 . . . . 1.0 111.582 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.79 97.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.13 3.22 . . . . 1.0 113.113 -170.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.3 155.95 39.64 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.258 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -148.25 28.36 0.91 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.577 0.704 . . . . 1.0 109.718 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -122.82 10.6 9.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.384 -0.825 . . . . 1.0 111.065 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' 2337 ' ' GLU . 5.8 p-10 -148.83 46.15 1.01 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.171 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2337 ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' 2336 ' ' ASP . 51.2 mm-40 65.6 162.52 0.15 Allowed 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 114.64 -1.164 . . . . 1.0 111.245 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 43.6 m -85.72 67.23 9.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 175.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.408 ' HB2' ' NH1' ' A' 2329 ' ' ARG . 90.0 mt -86.42 95.5 9.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.412 -175.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.476 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 -113.43 7.35 17.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 171.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.527 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.414 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.62 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.62 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2349 ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.403 ' HG1' HG23 ' A' 2316 ' ' ILE . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.418 HD11 HD22 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.43 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.41 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2387 ' ' GLY . . . . . 0.53 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.519 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2391 ' ' GLN . . . . . 0.53 ' HB2' ' O ' ' A' 2387 ' ' GLY . 8.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.545 ' O ' HG21 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.632 HG23 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.454 HG23 HG12 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.549 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.571 ' HB2' HG23 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2409 ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.531 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.539 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.539 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.703 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.703 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.623 HG22 HG12 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.474 ' O ' HG22 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.571 HG23 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.632 ' HA ' HG23 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.712 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2442 ' ' CYS . . . . . 0.467 ' HG ' ' HZ2' ' A' 2389 ' ' TRP . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.422 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.433 HG13 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.479 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.422 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.568 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.442 ' HB2' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.415 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.61 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.511 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 9.6 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.524 ' O ' HG21 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.42 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.524 HG21 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2465 ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.623 HG12 HG22 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -158.35 -170.61 3.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -106.07 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.009 0.433 . . . . 1.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.67 90.74 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.881 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.24 92.16 2.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.003 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.941 178.103 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.461 -0.256 . . . . 1.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 2295 ' ' ILE . . . . . 0.437 ' O ' HG13 ' A' 2295 ' ' ILE . 9.9 tp -102.21 35.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 122.485 1.136 . . . . 1.0 108.962 175.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.65 154.1 55.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.827 -1.079 . . . . 1.0 110.816 -173.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.45 21.59 0.83 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.398 2.732 . . . . 1.0 113.056 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -110.55 -45.49 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.398 0.618 . . . . 1.0 110.97 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 16.6 p -89.0 66.85 7.99 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.536 -174.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.422 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 -80.86 123.91 81.95 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 171.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.422 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2308 ' ' GLU . . . . . 0.478 ' HB3' HD13 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2318 ' ' ALA . . . . . 0.447 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.487 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2321 ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.626 ' HB2' ' HZ3' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt -84.69 121.08 27.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -115.81 119.35 37.53 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.273 -0.876 . . . . 1.0 109.247 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.52 131.02 43.18 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.389 2.059 . . . . 1.0 111.275 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -74.73 71.37 1.94 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.485 0.659 . . . . 1.0 110.718 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -161.33 130.67 4.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.827 -1.079 . . . . 1.0 109.063 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.546 ' HZ3' ' HB3' ' A' 2331 ' ' LYS . 0.4 OUTLIER -62.53 145.2 95.19 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.342 178.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.78 84.7 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.603 2.202 . . . . 1.0 111.152 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 65.2 tttm -134.73 124.49 25.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.818 -1.083 . . . . 1.0 109.678 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.34 99.45 4.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -103.95 133.67 48.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.357 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.97 74.71 8.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.515 0.674 . . . . 1.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.84 -162.72 1.61 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.038 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.4 m -89.99 30.24 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.629 0.728 . . . . 1.0 110.057 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.63 91.08 7.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.942 -1.027 . . . . 1.0 109.534 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 175.26 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.928 -1.033 . . . . 1.0 109.63 -172.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.504 HG23 HD13 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.548 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.548 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.586 HG21 HG21 ' A' 2435 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.677 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.652 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.558 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.558 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.415 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.483 ' HB2' HG12 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.417 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.415 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.552 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.691 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.691 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.573 ' O ' HG11 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.439 ' HE3' ' HB3' ' A' 2434 ' ' SER . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.573 HG11 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.461 HG22 HG13 ' A' 2431 ' ' VAL . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.535 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.511 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.502 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.446 ' O ' ' HG3' ' A' 2429 ' ' LYS . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2426 ' ' SER . . . . . 0.527 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.473 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2430 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.535 HG21 ' HB2' ' A' 2407 ' ' LEU . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.439 ' HB3' ' HE3' ' A' 2399 ' ' MET . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.586 HG21 HG21 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.522 ' HB2' HG12 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.715 ' HG ' HD21 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.552 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.451 ' HB3' HG13 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.407 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.428 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.428 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.715 HD21 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.579 ' HA ' HD22 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.504 HD13 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.436 ' HB1' ' CE2' ' A' 2480 ' ' PHE . . . -160.76 -161.79 0.88 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -116.93 98.72 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.165 0.507 . . . . 1.0 110.368 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.436 ' CE2' ' HB1' ' A' 2478 ' ' ALA . 75.4 m-85 -125.75 85.46 2.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.63 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.32 72.93 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.207 -1.034 . . . . 1.0 108.207 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.113 -0.949 . . . . 1.0 109.898 -173.657 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.998 -0.441 . . . . 1.0 111.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 12.6 tt -150.98 136.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.329 -0.249 . . . . 1.0 110.329 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.642 ' HB3' ' HB2' ' A' 2300 ' ' ASP . 0.0 OUTLIER 63.82 145.95 0.09 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.658 1.183 . . . . 1.0 112.773 177.668 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -76.74 -54.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.585 2.19 . . . . 1.0 112.628 175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.1 -3.66 0.37 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.304 -0.862 . . . . 1.0 112.633 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 6.3 p -162.71 111.58 1.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.743 0.417 . . . . 1.0 110.386 -174.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.642 ' HB2' ' HB3' ' A' 2296 ' ' ASP . 16.6 t70 -117.5 115.06 37.83 Favored Pre-proline 0 C--N 1.315 -0.901 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 173.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2302 ' ' THR . . . . . 0.496 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.509 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.463 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2310 ' ' LEU . . . . . 0.406 ' HA ' HD11 ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2320 ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.493 HD22 HD21 ' A' 2412 ' ' ASN . 60.8 mt -75.96 103.87 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -103.2 120.26 52.66 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.42 82.64 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.589 2.193 . . . . 1.0 112.439 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -87.87 150.88 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.469 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -88.8 160.94 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.27 0.557 . . . . 1.0 111.41 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.472 ' HD2' ' HE2' ' A' 2333 ' ' LYS . 46.9 mttp -89.35 156.15 48.53 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.176 -0.92 . . . . 1.0 110.011 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.08 73.25 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.046 2.498 . . . . 1.0 112.361 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.472 ' HE2' ' HD2' ' A' 2331 ' ' LYS . 60.2 pttt -167.72 157.65 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.0 109.467 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.4 121.65 16.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.792 0.329 . . . . 1.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -84.58 106.36 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 7.0 t70 -116.4 23.68 11.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.244 1.021 . . . . 1.0 109.86 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -147.56 151.6 36.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.812 -1.54 . . . . 1.0 109.078 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 20.8 t -80.6 90.55 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 83.2 mt -88.92 72.54 8.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.757 -177.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.439 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.0 t-20 -93.81 -2.13 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.553 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.527 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.527 HG12 ' O ' ' A' 2341 ' ' PHE . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.469 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.767 HG21 HG12 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.541 HG21 HG22 ' A' 2435 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.495 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.406 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.533 ' O ' HG22 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.427 HD13 ' HB3' ' A' 2375 ' ' LYS . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.496 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.468 ' HA ' ' HD2' ' A' 2380 ' ' PRO . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.417 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2383 ' ' ALA . . . . . 0.481 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2384 ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2387 ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2388 ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.417 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.616 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.503 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.617 ' CG1' ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.503 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2406 ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' 2406 ' ' ASN . 0.9 OUTLIER -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.641 HD22 HD13 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.503 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.493 HD21 HD22 ' A' 2326 ' ' LEU . 21.7 t-20 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2416 ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.472 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.472 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.548 ' O ' HG21 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.421 ' HB1' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.503 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.617 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.686 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.537 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.686 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.538 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.539 ' HA ' HD21 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.539 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.767 HG12 HG21 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2466 ' ' ALA . . . . . 0.488 ' HB2' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.421 ' CB ' ' HB1' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.549 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2472 ' ' LYS . . . . . 0.724 ' HA ' HE21 ' A' 2475 ' ' GLN . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.516 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.724 HE21 ' HA ' ' A' 2472 ' ' LYS . 42.6 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -145.71 165.24 29.36 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -131.01 78.86 1.86 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.229 0.538 . . . . 1.0 110.531 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 4.1 p90 -124.92 84.7 2.31 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.871 0.843 . . . . 1.0 111.012 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.83 38.4 1.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.344 1.069 . . . . 1.0 109.25 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 113.87 -1.513 . . . . 1.0 109.696 -177.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 112.645 -0.182 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.4 pt -101.1 21.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 1.0 109.647 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.431 ' HB2' ' CE2' ' A' 2298 ' ' PHE . 10.0 p-10 -141.11 147.2 46.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.025 -0.989 . . . . 1.0 110.356 -172.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.86 -11.11 10.26 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.672 2.248 . . . . 1.0 114.023 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2298 ' ' PHE . . . . . 0.445 ' HD1' ' H ' ' A' 2300 ' ' ASP . 25.8 p90 -92.96 -29.46 15.85 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 -172.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 31.8 p 48.78 40.0 15.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.354 0.662 . . . . 1.0 111.836 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.466 ' O ' HG13 ' A' 2304 ' ' ILE . 10.9 t70 -84.21 125.65 71.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.699 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.695 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' 2408 ' ' CYS . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2324 ' ' GLU . . . . . 0.442 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt -81.69 143.74 31.66 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.7 113.32 9.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 110.132 -0.321 . . . . 1.0 110.132 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.475 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 36.2 Cg_exo -60.55 132.1 41.49 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.525 2.15 . . . . 1.0 111.277 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.88 100.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -129.93 142.79 50.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.867 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.78 151.84 37.7 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.235 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.61 90.29 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.691 2.261 . . . . 1.0 110.964 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -156.08 137.54 14.02 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.873 -176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -90.72 99.59 12.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.584 -0.895 . . . . 1.0 108.584 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -133.14 132.74 42.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.565 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.39 97.91 0.31 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.457 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -108.75 149.84 28.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.401 0.619 . . . . 1.0 111.362 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 52.8 m -133.96 29.52 3.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.304 1.05 . . . . 1.0 108.413 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.8 mt -123.71 32.46 5.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.692 -1.595 . . . . 1.0 109.463 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 -90.79 19.91 5.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.584 -0.734 . . . . 1.0 109.524 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.452 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.475 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' 2341 ' ' PHE . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.672 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2347 ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.475 ' HB2' HD12 ' A' 2470 ' ' LEU . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.672 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.408 HG12 ' HB2' ' A' 2466 ' ' ALA . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.461 HG22 HG21 ' A' 2435 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.572 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.578 ' HB2' HG11 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.413 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.409 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.552 ' O ' HG11 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.435 ' HE2' ' HA ' ' A' 2396 ' ' ALA . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.609 HG21 HD21 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.493 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.521 HG21 HG12 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.478 ' HB2' HG23 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.48 ' HG ' HD11 ' A' 2323 ' ' LEU . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.461 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.461 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.534 HG21 HG12 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.539 ' O ' HG22 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' 2427 ' ' SER . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.576 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.609 HD21 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.447 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.655 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.655 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.421 ' O ' HG21 ' A' 2463 ' ' VAL . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' 2459 ' ' ALA . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2466 ' ' ALA . . . . . 0.408 ' HB2' HG12 ' A' 2352 ' ' ILE . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.437 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.524 HD13 HG21 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.534 HG12 HG21 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.508 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.487 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.7 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -135.98 -165.78 1.76 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -143.03 93.93 2.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.061 0.458 . . . . 1.0 110.823 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.18 18.36 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.042 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 41.15 51.72 3.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.952 -1.022 . . . . 1.0 112.036 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.947 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 112.676 -0.17 . . . . 1.0 112.676 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 2295 ' ' ILE . . . . . 0.433 HD13 ' H ' ' A' 2295 ' ' ILE . 0.2 OUTLIER -62.95 -27.6 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.024 0.44 . . . . 1.0 111.119 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2296 ' ' ASP . . . . . 0.458 ' CG ' ' HG1' ' A' 2299 ' ' THR . 9.5 p-10 -89.56 153.04 47.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.599 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -83.53 15.81 2.04 Favored 'Trans proline' 0 C--N 1.331 -0.383 0 C-N-CA 123.428 2.752 . . . . 1.0 113.217 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.99 -28.69 8.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.857 0.36 . . . . 1.0 111.69 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2299 ' ' THR . . . . . 0.458 ' HG1' ' CG ' ' A' 2296 ' ' ASP . 4.9 p -85.6 65.51 9.2 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.219 0.533 . . . . 1.0 111.407 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 -69.88 121.03 81.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.786 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.503 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.531 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2309 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2310 ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2312 ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.51 HD21 ' ND2' ' A' 2412 ' ' ASN . 99.1 mt -66.64 106.97 1.96 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -125.21 101.76 31.3 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.34 -168.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -89.54 95.46 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.369 2.713 . . . . 1.0 111.856 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -134.18 12.4 3.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 1.0 110.267 177.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -137.29 119.7 15.85 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.061 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -69.47 153.29 95.92 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.101 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.63 90.53 0.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.76 2.307 . . . . 1.0 112.012 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 67.45 -168.16 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 1.0 111.042 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.82 -179.31 7.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.121 -0.696 . . . . 1.0 109.121 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 63.61 83.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.353 0.597 . . . . 1.0 109.844 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.89 109.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.466 -1.243 . . . . 1.0 113.121 -176.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -109.47 143.0 39.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.517 -0.919 . . . . 1.0 108.517 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 31.9 m -78.53 72.89 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.276 0.56 . . . . 1.0 110.65 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 80.5 mt -110.25 90.72 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 1.0 109.783 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.581 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 -124.34 13.33 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.333 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.559 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2342 ' ' GLU . . . . . 0.497 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' 2341 ' ' PHE . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.517 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.547 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.57 HG22 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.627 HG23 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2359 ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2360 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.531 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.593 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.573 ' O ' HG22 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2368 ' ' ARG . . . . . 0.481 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.593 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.655 HG13 ' HB2' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2373 ' ' GLN . . . . . 0.431 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2375 ' ' LYS . . . . . 0.463 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2377 ' ' GLY . . . . . 0.544 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.655 ' HB2' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.435 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2386 ' ' ASP . . . . . 0.544 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.448 ' O ' HG13 ' A' 2394 ' ' ILE . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.503 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.518 HG11 ' HA ' ' A' 2435 ' ' THR . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.469 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.422 HG23 HG11 ' A' 2431 ' ' VAL . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.469 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.498 ' HB2' HG23 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.615 ' O ' HG22 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.51 ' ND2' HD21 ' A' 2326 ' ' LEU . 3.3 t-20 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.741 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.741 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.514 ' O ' HG22 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' 2427 ' ' SER . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.43 ' HB3' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.627 HG21 HG23 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.736 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG23 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.736 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.545 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.592 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2451 ' ' GLU . . . . . 0.406 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.423 ' HE1' ' HD3' ' A' 2443 ' ' LYS . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.592 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.439 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.728 ' HA ' HD21 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.554 ' O ' HG22 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.483 ' HA3' HD22 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.57 HG13 HG22 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.43 ' HB2' ' HB3' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.523 HD12 HG22 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.618 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2472 ' ' LYS . . . . . 0.579 ' HA ' HE21 ' A' 2475 ' ' GLN . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.468 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.618 ' HG3' ' O ' ' A' 2471 ' ' VAL . 48.2 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -111.57 -27.33 8.61 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.1 86.06 0.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.41 -0.813 . . . . 1.0 111.565 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.89 15.53 28.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 1.0 110.914 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -108.46 83.33 1.76 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.999 -1.0 . . . . 1.0 110.85 -173.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.36 73.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.423 0.63 . . . . 1.0 109.412 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -148.29 152.06 38.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.144 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.94 12.99 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.541 2.827 . . . . 1.0 113.924 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -107.72 -71.85 0.74 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.695 0.283 . . . . 1.0 110.767 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 59.2 p 48.01 73.96 0.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.172 -0.922 . . . . 1.0 111.462 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.525 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 -81.02 132.32 57.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.597 -0.729 . . . . 1.0 109.54 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.626 ' HG3' ' HG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2317 ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.466 ' HB3' ' HE2' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt -101.88 151.06 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -155.32 134.42 7.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2328 ' ' PRO . . . . . 0.513 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 13.2 Cg_exo -69.43 89.74 0.49 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.387 2.058 . . . . 1.0 109.605 170.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -79.47 98.0 6.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.298 -171.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -134.08 115.01 13.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.486 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2331 ' ' LYS . . . . . 0.484 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 44.3 mtpt -68.99 156.42 91.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.345 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2332 ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 9.6 Cg_endo -53.57 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.87 3.046 . . . . 1.0 113.61 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.87 130.04 41.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 1.0 108.61 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.03 108.66 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.356 0.598 . . . . 1.0 111.179 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -132.0 116.87 17.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.279 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.7 97.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.619 -165.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 16.3 m -87.55 42.73 1.06 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.159 -171.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 32.4 mt 58.53 59.99 2.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.158 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.555 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 -79.29 -0.51 32.67 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.296 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.641 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2348 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2351 ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2352 ' ' ILE . . . . . 0.715 HG23 HG12 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2356 ' ' THR . . . . . 0.533 HG22 HG21 ' A' 2435 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.626 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.54 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.503 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2368 ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2376 ' ' VAL . . . . . 0.476 HG13 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.441 ' CB ' HG11 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2379 ' ' ILE . . . . . . . . . . . . . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2381 ' ' ALA . . . . . . . . . . . . . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.454 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.72 ' HB2' ' HB1' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.472 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.569 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2398 ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2399 ' ' MET . . . . . 0.529 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2401 ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2404 ' ' THR . . . . . . . . . . . . . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.51 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 11.8 m120 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG23 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2409 ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.576 ' O ' HG22 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.403 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2413 ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2418 ' ' HIS . . . . . 0.493 ' HB2' ' HB3' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.596 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2421 ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' 2421 ' ' GLN . 1.6 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.596 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.577 ' O ' HG22 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.6 HG23 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.619 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.529 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.59 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.72 ' HA ' HD11 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2437 ' ' GLN . . . . . 0.413 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.573 HD23 HG23 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.72 HD11 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.567 ' HD3' ' HE1' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2445 ' ' LYS . . . . . 0.476 ' HG2' HG13 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.467 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.469 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.501 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2452 ' ' ALA . . . . . 0.54 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.567 ' HE1' ' HD3' ' A' 2443 ' ' LYS . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2454 ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.471 ' HA ' HD22 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2460 ' ' GLY . . . . . 0.448 ' HA3' HD23 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.715 HG12 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.619 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2467 ' ' SER . . . . . 0.415 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.499 HD12 HG22 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.586 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2474 ' ' ALA . . . . . 0.458 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -139.52 -174.72 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.17 115.6 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 1.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -128.99 19.36 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.253 0.549 . . . . 1.0 109.538 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -92.68 120.5 33.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.817 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.678 -0.677 . . . . 1.0 109.776 174.631 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 38.9 mm -72.18 -32.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.688 0.756 . . . . 1.0 108.969 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.63 150.44 97.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.744 -1.117 . . . . 1.0 111.057 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.93 20.04 1.26 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.52 2.813 . . . . 1.0 112.619 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -108.94 -52.14 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.572 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.7 t 44.96 67.42 0.71 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.448 1.118 . . . . 1.0 111.164 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 -68.53 127.72 93.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.488 -1.233 . . . . 1.0 109.593 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2303 ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2305 ' ' ALA . . . . . 0.495 ' HA ' HD12 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2306 ' ' GLU . . . . . 0.605 ' HG3' ' HG ' ' A' 2364 ' ' SER . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2307 ' ' ASN . . . . . 0.477 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2313 ' ' ALA . . . . . 0.413 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2319 ' ' ALA . . . . . 0.411 ' O ' HD11 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2320 ' ' ALA . . . . . . . . . . . . . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2322 ' ' LYS . . . . . 0.525 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2323 ' ' LEU . . . . . 0.411 HD11 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2326 ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt -59.79 120.19 9.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2327 ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' 2327 ' ' LYS . 38.9 ttmt -133.03 128.83 20.77 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.626 -174.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.28 111.19 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.506 2.137 . . . . 1.0 111.423 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -93.33 65.74 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.946 0.403 . . . . 1.0 110.879 -175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -166.26 127.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -89.86 135.99 29.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.308 0.575 . . . . 1.0 110.18 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.08 109.64 2.87 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.904 3.069 . . . . 1.0 112.64 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2333 ' ' LYS . . . . . 0.499 ' HB2' ' CB ' ' A' 2336 ' ' ASP . 66.3 mttm -90.83 160.83 15.54 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.204 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.99 127.41 32.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.578 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 65.8 17.81 10.96 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.786 0.679 . . . . 1.0 111.263 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2336 ' ' ASP . . . . . 0.499 ' CB ' ' HB2' ' A' 2333 ' ' LYS . 36.3 t70 -95.67 49.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 1.0 109.465 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2337 ' ' GLU . . . . . 0.503 ' HB3' ' HG ' ' A' 2339 ' ' LEU . 37.4 mt-10 66.29 141.39 0.03 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.801 -1.091 . . . . 1.0 112.431 -175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 14.6 m -92.49 44.29 1.15 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.525 -0.761 . . . . 1.0 109.954 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2339 ' ' LEU . . . . . 0.503 ' HG ' ' HB3' ' A' 2337 ' ' GLU . 86.1 mt -75.8 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.833 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2340 ' ' ASN . . . . . 0.477 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 -111.02 10.75 22.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.318 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2341 ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2343 ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2344 ' ' GLN . . . . . 0.477 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2345 ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' 2341 ' ' PHE . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2346 ' ' LEU . . . . . 0.661 ' HG ' ' HZ3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2347 ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2350 ' ' LYS . . . . . 0.661 ' HZ3' ' HG ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2360 ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2363 ' ' ALA . . . . . 0.548 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2364 ' ' SER . . . . . 0.605 ' HG ' ' HG3' ' A' 2306 ' ' GLU . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2365 ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2366 ' ' ALA . . . . . 0.575 ' O ' HD21 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2367 ' ' GLN . . . . . 0.598 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2369 ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2370 ' ' LEU . . . . . 0.575 HD21 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2371 ' ' VAL . . . . . 0.598 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2378 ' ' ALA . . . . . 0.48 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2379 ' ' ILE . . . . . 0.402 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2381 ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2389 ' ' TRP . . . . . 0.466 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2390 ' ' SER . . . . . 0.481 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2394 ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2396 ' ' ALA . . . . . 0.577 ' O ' HG12 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2397 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2400 ' ' VAL . . . . . 0.6 ' CG1' ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2404 ' ' THR . . . . . 0.448 HG21 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2405 ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' 2408 ' ' CYS . 4.0 t-20 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2408 ' ' CYS . . . . . 0.525 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2411 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2412 ' ' ASN . . . . . 0.429 HD21 HD22 ' A' 2326 ' ' LEU . 18.8 t-20 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2415 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2420 ' ' SER . . . . . 0.662 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2423 ' ' LYS . . . . . 0.662 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2425 ' ' ILE . . . . . 0.44 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2429 ' ' LYS . . . . . 0.44 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2431 ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' 2427 ' ' SER . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB3' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2434 ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2435 ' ' THR . . . . . 0.6 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2437 ' ' GLN . . . . . 0.427 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2438 ' ' LEU . . . . . 0.559 ' HB2' HG13 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2440 ' ' VAL . . . . . 0.471 ' O ' HG22 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2443 ' ' LYS . . . . . 0.606 ' HZ1' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2444 ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2446 ' ' ALA . . . . . 0.555 ' HB3' ' HE3' ' A' 2453 ' ' MET . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2447 ' ' ASP . . . . . 0.51 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2448 ' ' GLN . . . . . 0.436 HE21 ' HB2' ' A' 2448 ' ' GLN . 2.4 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2450 ' ' SER . . . . . 0.625 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2453 ' ' MET . . . . . 0.625 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2456 ' ' LEU . . . . . 0.527 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2457 ' ' GLN . . . . . 0.557 ' HA ' HD21 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2459 ' ' ALA . . . . . 0.428 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2463 ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' 2459 ' ' ALA . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB3' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2470 ' ' LEU . . . . . 0.511 HD13 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2471 ' ' VAL . . . . . 0.591 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2473 ' ' ALA . . . . . 0.718 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2475 ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2476 ' ' LYS . . . . . 0.718 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2478 ' ' ALA . . . . . 0.425 ' HB1' ' CE2' ' A' 2480 ' ' PHE . . . -149.67 176.79 10.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -114.8 110.25 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 1.0 110.167 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2480 ' ' PHE . . . . . 0.425 ' CE2' ' HB1' ' A' 2478 ' ' ALA . 91.7 m-85 -110.17 23.82 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.92 59.95 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.568 0.699 . . . . 1.0 110.848 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.084 -178.863 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' 2303 ' ' VAL . 11.4 m-20 . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 110.158 -0.312 . . . . 1.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.513 HG23 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.539 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.498 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.452 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' 2342 ' ' GLU . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.428 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.428 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2365 ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.602 ' O ' HG23 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2368 ' ' ARG . . . . . 0.498 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.797 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.797 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.406 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' 2381 ' ' ALA . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.444 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.461 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2399 ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.777 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.51 HD22 HG21 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2413 ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2418 ' ' HIS . . . . . 0.401 ' HB3' ' HB1' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.777 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.488 ' HB1' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.422 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.572 HG21 HG21 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2442 ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' 2446 ' ' ALA . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.599 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.601 ' HA ' HD23 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.572 HG21 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.488 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.405 ' O ' HG23 ' A' 2471 ' ' VAL . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.555 HD11 HG23 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.557 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2380 ' ' PRO . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.602 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' 2344 ' ' GLN . 56.8 t30 . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' 2345 ' ' ILE . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.522 HG23 HD11 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.47 HD22 HG22 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2360 ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.496 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.7 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.452 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2388 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2384 ' ' LEU . 77.1 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.435 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.533 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.5 HG22 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.495 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2413 ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2418 ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.403 HG23 HG13 ' A' 2471 ' ' VAL . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2426 ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.536 ' O ' HG23 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2430 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.749 ' HA ' HG22 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.748 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.7 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2449 ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2451 ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2455 ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.526 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.441 ' HA ' HD23 ' A' 2439 ' ' LEU . 51.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2461 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.71 HG21 HG21 ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2465 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.522 HD11 HG23 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.474 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.69 -0.856 . . . . 1.0 108.69 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.511 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 120.958 0.408 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.504 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.511 HG23 HD11 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.605 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.605 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2404 ' ' THR . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.507 HD11 HD23 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.511 ' HG ' HG13 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.511 HG13 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.567 ' H ' HG22 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 21.5 m120 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 2385 ' ' ASP . . . . . 0.739 ' H ' HD13 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.472 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2356 ' ' THR . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2421 ' ' GLN . . . . . 0.457 ' NE2' ' HB3' ' A' 2478 ' ' ALA . 7.4 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2422 ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2424 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' 2471 ' ' VAL . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.546 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.519 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2437 ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' 2434 ' ' SER . 58.1 tp60 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.541 ' HB2' HG11 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.593 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2461 ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.519 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2465 ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.511 HD11 HG23 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 2471 ' ' VAL . 19.1 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 2478 ' ' ALA . . . . . 0.457 ' HB3' ' NE2' ' A' 2421 ' ' GLN . . . . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.317 0.103 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2308 ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 2319 ' ' ALA . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' 2343 ' ' GLU . 3.7 p-10 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 121.255 0.55 . . . . 1.0 110.341 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.518 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.553 HG23 HD11 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2404 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.561 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.414 HG11 ' CZ3' ' A' 2389 ' ' TRP . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.616 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2382 ' ' ASN . . . . . 0.536 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.759 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.414 ' CZ3' HG11 ' A' 2376 ' ' VAL . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 2398 ' ' ARG . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' 2435 ' ' THR . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2403 ' ' ALA . . . . . 0.401 ' HA ' ' ND2' ' A' 2406 ' ' ASN . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2356 ' ' THR . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' 2401 ' ' ALA . 27.3 t-20 -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2406 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 2403 ' ' ALA . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2414 ' ' ALA . . . . . 0.592 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2419 ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.588 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.494 HG23 HG13 ' A' 2471 ' ' VAL . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.598 ' HA ' HG12 ' A' 2400 ' ' VAL . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.724 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.594 ' HB2' HG11 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.758 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2449 ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.758 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.65 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD23 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.533 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2461 ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2465 ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2468 ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.553 HD11 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.518 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 2471 ' ' VAL . 24.2 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.462 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 . . . . . 0 C--O 1.23 0.065 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.659 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2312 ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2318 ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.497 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.62 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.474 ' HB2' HG21 ' A' 2415 ' ' VAL . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2404 ' ' THR . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.499 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.499 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.548 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.659 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.427 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.424 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2395 ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2399 ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.569 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2356 ' ' THR . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.546 HD22 HG21 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2422 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.719 HG23 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.563 ' O ' HG23 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.426 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' 2448 ' ' GLN . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.716 ' HA ' HD23 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.599 HD11 HG23 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.719 HG13 HG23 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.78 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.632 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.632 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' 2412 ' ' ASN . 96.7 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' 2347 ' ' GLU . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.531 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.485 HD12 HD23 ' A' 2456 ' ' LEU . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.561 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' 2371 ' ' VAL . 34.8 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' 2445 ' ' LYS . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' 2381 ' ' ALA . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.43 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.598 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.606 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 2398 ' ' ARG . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.666 HG22 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.639 HD22 HG21 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.515 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2409 ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' 2326 ' ' LEU . 4.8 t30 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.413 HG23 HG13 ' A' 2471 ' ' VAL . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.535 ' O ' HG23 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.666 HG13 HG22 ' A' 2404 ' ' THR . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.801 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.592 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.631 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' 2370 ' ' LEU . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2451 ' ' GLU . . . . . 0.402 ' HG2' ' NH2' ' A' 2455 ' ' ARG . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.561 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2455 ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.485 HD23 HD12 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.456 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.801 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.515 HD11 HG23 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.443 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 2300 ' ' ASP . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.755 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2312 ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2349 ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.43 HD13 HD23 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2404 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2365 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' 2376 ' ' VAL . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.432 HG13 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 2370 ' ' LEU . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.432 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' 2381 ' ' ALA . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.576 ' H ' HG22 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.755 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.631 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2356 ' ' THR . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.527 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.785 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2421 ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' A' 2421 ' ' GLN . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.785 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2424 ' ' LEU . . . . . 0.419 HD21 HD12 ' A' 2345 ' ' ILE . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.513 ' O ' HG23 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.554 HG13 HG22 ' A' 2404 ' ' THR . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2437 ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.484 ' HB2' HG11 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.619 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.615 HD23 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.65 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.3 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.569 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.473 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.598 ' HG3' ' O ' ' A' 2471 ' ' VAL . 47.7 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.439 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.575 0.703 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' 2347 ' ' GLU . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' 2340 ' ' ASN . 65.5 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.633 HG23 HD11 ' A' 2470 ' ' LEU . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2404 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2361 ' ' LYS . . . . . 0.439 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.447 ' HA ' HD12 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' 2371 ' ' VAL . 37.2 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.565 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.623 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.574 HG21 HD22 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2356 ' ' THR . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2401 ' ' ALA . 3.2 t30 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.654 HG13 HG22 ' A' 2404 ' ' THR . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.649 HG21 HG22 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.574 HD22 HG21 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.529 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.724 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2451 ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.469 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.695 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2465 ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2466 ' ' ALA . . . . . 0.602 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.633 HD11 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2308 ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.407 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 2323 ' ' LEU . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.178 0.513 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.522 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.595 HG23 HD21 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.59 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.59 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.536 HG23 HG13 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.541 ' HG ' HG13 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' 2370 ' ' LEU . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.492 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' 2381 ' ' ALA . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.492 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2391 ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' 2391 ' ' GLN . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' 2435 ' ' THR . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2410 ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' 2407 ' ' LEU . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.573 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.686 HG13 HG22 ' A' 2404 ' ' THR . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.564 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.729 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.596 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.596 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.624 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.536 HG13 HG23 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.564 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.595 HD21 HG23 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.522 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' 2471 ' ' VAL . 18.9 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.769 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.093 0.473 . . . . 1.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.557 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.615 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' 2352 ' ' ILE . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.461 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' 2435 ' ' THR . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2361 ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.517 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.613 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.483 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' 2379 ' ' ILE . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.546 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2356 ' ' THR . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 2401 ' ' ALA . 36.0 t-20 -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.593 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' 2416 ' ' GLN . 4.8 t30 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2414 ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2419 ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.565 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.502 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.466 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.607 HG13 HG22 ' A' 2404 ' ' THR . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.558 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.54 HD22 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.591 HD21 ' HA3' ' A' 2460 ' ' GLY . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' 2453 ' ' MET . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.748 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.538 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.748 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.548 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.489 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.615 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2472 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.497 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.526 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2308 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' 2357 ' ' SER . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2318 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.486 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' 2344 ' ' GLN . 63.8 t30 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.564 HG23 HD11 ' A' 2470 ' ' LEU . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.668 HG23 HG13 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2404 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2357 ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2360 ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' 2309 ' ' LEU . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.526 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.416 ' O ' HD23 ' A' 2370 ' ' LEU . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.789 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.682 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.581 ' HB2' HD12 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.901 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.682 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2382 ' ' ASN . . . . . 0.489 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.901 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.681 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2399 ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.709 HG12 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2403 ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' 2431 ' ' VAL . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2356 ' ' THR . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.588 ' HB2' HG21 ' A' 2431 ' ' VAL . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2421 ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.631 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.709 ' HA ' HG12 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' 2453 ' ' MET . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.789 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.401 ' HB3' ' O ' ' A' 2450 ' ' SER . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.525 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2461 ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.668 HG13 HG23 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.512 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.401 ' O ' HG23 ' A' 2471 ' ' VAL . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.564 HD11 HG23 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2472 ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.536 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.546 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 2477 ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.496 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.528 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' 2310 ' ' LEU . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2307 ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' 2306 ' ' GLU . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 2313 ' ' ALA . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.574 HD13 HD12 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.574 HD12 HD13 ' A' 2323 ' ' LEU . 87.2 mt . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.932 0.872 . . . . 1.0 108.953 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 2344 ' ' GLN . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.545 HG23 HD21 ' A' 2470 ' ' LEU . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.601 HG23 HG13 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.686 HG22 HG21 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2360 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.445 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2368 ' ' ARG . . . . . 0.541 ' HA ' HG12 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 2366 ' ' ALA . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' 2445 ' ' LYS . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' 2381 ' ' ALA . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.508 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2382 ' ' ASN . . . . . 0.491 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2388 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.445 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.672 HG21 HG21 ' A' 2356 ' ' THR . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.573 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2413 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2418 ' ' HIS . . . . . 0.522 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.545 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.686 HG21 HG22 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.55 ' HB2' HG11 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2442 ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.42 ' HA ' HD22 ' A' 2370 ' ' LEU . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.587 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.669 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.601 HG13 HG23 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.413 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2466 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.545 HD21 HG23 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.489 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2312 ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2318 ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' 2350 ' ' LYS . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 2320 ' ' ALA . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 79.2 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.69 0.281 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.616 HG23 HD11 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.545 HG23 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2404 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2357 ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2361 ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.519 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.537 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.541 HG23 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.613 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.729 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2387 ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.552 ' CG ' ' HD2' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2391 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2356 ' ' THR . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.592 ' O ' ' HB3' ' A' 2408 ' ' CYS . 5.4 t30 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 26.5 t30 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.447 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2421 ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.447 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.578 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.6 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 2427 ' ' SER . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.754 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.667 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.572 ' HB2' HG11 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.729 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.565 ' HA ' HD23 ' A' 2439 ' ' LEU . 61.4 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.455 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.545 HG13 HG23 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.754 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.616 HD11 HG23 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 2478 ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' 2421 ' ' GLN . . . . . . . . 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' 2304 ' ' ILE . 9.2 m-20 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.491 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2312 ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' 2320 ' ' ALA . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.429 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2349 ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.441 HG21 HG21 ' A' 2404 ' ' THR . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.444 HD11 HD23 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' 2381 ' ' ALA . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2387 ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.526 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2391 ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' 2387 ' ' GLY . 47.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.56 HG22 HG13 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.608 ' HB2' HG21 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2409 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.728 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.646 HG23 HG13 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.76 ' HA ' HG22 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.424 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.625 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 2439 ' ' LEU . 64.1 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2465 ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.646 HG13 HG23 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.429 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' 2310 ' ' LEU . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2308 ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' 2306 ' ' GLU . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2318 ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.505 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2321 ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.553 ' HB2' ' NZ ' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.322 0.582 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.558 HG23 HD11 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2404 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' 2435 ' ' THR . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2365 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 2368 ' ' ARG . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.74 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.666 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2368 ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' 2365 ' ' ALA . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.698 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2356 ' ' THR . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2421 ' ' GLN . . . . . 0.425 HE22 ' HZ ' ' A' 2341 ' ' PHE . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.464 HG23 HG13 ' A' 2471 ' ' VAL . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2426 ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2430 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.572 HG13 HG22 ' A' 2404 ' ' THR . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.59 HG21 HG22 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.701 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.564 ' HB2' HG11 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.464 ' HB3' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.416 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2455 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 2455 ' ' ARG . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.558 HD11 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 2304 ' ' ILE . 16.6 t70 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2302 ' ' THR . . . . . 0.508 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' 2300 ' ' ASP . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 60.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' 2344 ' ' GLN . 46.7 t30 . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 121.678 0.752 . . . . 1.0 109.553 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.568 HG23 HD11 ' A' 2470 ' ' LEU . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.79 HG23 HG13 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2404 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.417 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.468 ' HB3' HG13 ' A' 2376 ' ' VAL . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' 2370 ' ' LEU . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.508 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' 2381 ' ' ALA . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2380 ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.563 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2383 ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2384 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2387 ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2388 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.414 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.626 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2399 ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2356 ' ' THR . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.66 HD21 HD12 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' 2416 ' ' GLN . 5.4 t30 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2416 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.487 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.581 ' O ' HG23 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.746 ' HA ' HG12 ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.711 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.602 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.417 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.549 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.64 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.634 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.79 HG13 HG23 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2466 ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.568 HD11 HG23 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2472 ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.524 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 2471 ' ' VAL . 47.4 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' 2304 ' ' ILE . 10.9 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.526 0.203 . . . . 1.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2301 ' ' PRO . . . . . 0.406 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.708 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2324 ' ' GLU . . . . . 0.46 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.447 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.68 HG23 HD11 ' A' 2470 ' ' LEU . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.69 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2343 ' ' GLU . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.69 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.584 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 2370 ' ' LEU . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.572 HG13 ' HB1' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.572 ' HB1' HG13 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.584 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.401 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.565 ' O ' HG13 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.614 HG21 HD22 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.662 HG22 HG13 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.495 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2424 ' ' LEU . . . . . 0.41 HD21 HD12 ' A' 2345 ' ' ILE . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.565 HG23 HG13 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG23 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.662 HG13 HG22 ' A' 2404 ' ' THR . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.582 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.614 HD22 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.482 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.665 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2451 ' ' GLU . . . . . 0.426 ' HA ' ' HE3' ' A' 2454 ' ' LYS . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' 2451 ' ' GLU . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.68 HD11 HG23 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.565 HG13 HG23 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 2471 ' ' VAL . 20.0 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.544 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2310 ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2312 ' ' ALA . . . . . 0.458 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.403 ' HB2' ' HB ' ' A' 2360 ' ' VAL . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2313 ' ' ALA . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.584 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 99.1 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.693 0.282 . . . . 1.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2342 ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.674 HG23 HD11 ' A' 2470 ' ' LEU . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.584 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.591 HG23 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.651 HG22 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2360 ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.544 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.602 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.582 ' O ' HG23 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2368 ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.612 HG13 ' HB1' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2373 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2375 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2377 ' ' GLY . . . . . 0.568 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.529 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2386 ' ' ASP . . . . . 0.568 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.458 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.513 HG21 HD22 ' A' 2438 ' ' LEU . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.62 HG21 HG21 ' A' 2356 ' ' THR . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.52 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.753 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.407 HG23 HG13 ' A' 2471 ' ' VAL . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.523 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.56 HG13 HG22 ' A' 2404 ' ' THR . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.651 HG21 HG22 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.771 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG21 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2451 ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.44 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.775 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.536 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.591 HG13 HG23 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.674 HD11 HG23 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2472 ' ' LYS . . . . . 0.404 ' HD2' ' HE3' ' A' 2476 ' ' LYS . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2471 ' ' VAL . 50.4 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2306 ' ' GLU . . . . . 0.42 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2317 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 121.053 0.454 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2348 ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2351 ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2352 ' ' ILE . . . . . 0.738 HG23 HG13 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2359 ' ' LEU . . . . . 0.447 HD12 HD23 ' A' 2456 ' ' LEU . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2364 ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.559 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2368 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' 2381 ' ' ALA . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' 2379 ' ' ILE . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 23.2 m120 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.455 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.767 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.491 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.418 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2398 ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2399 ' ' MET . . . . . 0.545 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2401 ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2407 ' ' LEU . . . . . 0.648 ' HB2' HG21 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2409 ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2412 ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2413 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2418 ' ' HIS . . . . . 0.529 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.586 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.568 ' O ' HG23 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.684 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.742 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2437 ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.563 ' HB2' HG11 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.742 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2445 ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2448 ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2452 ' ' ALA . . . . . 0.559 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2454 ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.447 HD23 HD12 ' A' 2359 ' ' LEU . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2459 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2460 ' ' GLY . . . . . 0.458 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.738 HG13 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.649 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2467 ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.576 HD11 HG23 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2474 ' ' ALA . . . . . 0.462 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 2300 ' ' ASP . . . . . 0.585 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2303 ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2304 ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2305 ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2307 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2313 ' ' ALA . . . . . 0.43 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2319 ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2320 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2353 ' ' ALA . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2322 ' ' LYS . . . . . 0.523 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2323 ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2326 ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2340 ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 . . . . . 0 CA--C 1.516 -0.364 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2341 ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2343 ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2344 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2345 ' ' ILE . . . . . 0.579 HG23 HD11 ' A' 2470 ' ' LEU . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2346 ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2347 ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2350 ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2353 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2320 ' ' ALA . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2356 ' ' THR . . . . . 0.438 HG21 HG21 ' A' 2404 ' ' THR . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2360 ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2363 ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2365 ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2366 ' ' ALA . . . . . 0.566 ' O ' HD22 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2367 ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2369 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2370 ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2371 ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2378 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2379 ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2381 ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2389 ' ' TRP . . . . . 0.464 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2390 ' ' SER . . . . . 0.479 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2394 ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2397 ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2400 ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2404 ' ' THR . . . . . 0.561 HG22 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2405 ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' 2408 ' ' CYS . 43.7 t30 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2408 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2411 ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2415 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2420 ' ' SER . . . . . 0.681 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2423 ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2425 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2429 ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2431 ' ' VAL . . . . . 0.561 HG13 HG22 ' A' 2404 ' ' THR . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2434 ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2435 ' ' THR . . . . . 0.679 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2436 ' ' ALA . . . . . 0.782 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2437 ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2438 ' ' LEU . . . . . 0.631 ' HB2' HG11 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2439 ' ' LEU . . . . . 0.782 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2440 ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2443 ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2444 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2446 ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2447 ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2450 ' ' SER . . . . . 0.626 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2453 ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2456 ' ' LEU . . . . . 0.533 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2457 ' ' GLN . . . . . 0.581 ' HA ' HD23 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2463 ' ' VAL . . . . . 0.436 HG21 HG21 ' A' 2435 ' ' THR . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2470 ' ' LEU . . . . . 0.579 HD11 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2471 ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2473 ' ' ALA . . . . . 0.736 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2475 ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2476 ' ' LYS . . . . . 0.736 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.362 -0.695 . . . . 1.0 111.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 10.4 tt -84.4 82.21 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.85 0.833 . . . . 1.0 110.227 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.13 145.14 30.03 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.818 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' 2298 ' ' PHE . 72.4 Cg_endo -74.95 6.04 3.61 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 C-N-CA 123.567 2.845 . . . . 1.0 113.615 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' 2297 ' ' PRO . 89.0 m-85 -130.15 -2.32 4.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 19.6 p 44.91 60.39 2.97 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.434 0.635 . . . . 1.0 110.979 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' 2303 ' ' VAL . 11.4 m-20 -59.41 139.02 88.96 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 114.957 -1.02 . . . . 1.0 110.158 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.513 HG23 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.539 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.498 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.452 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 85.6 mt -89.49 116.58 27.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 53.5 tptt -92.65 118.4 67.96 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.808 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.478 ' HG3' HD22 ' A' 2346 ' ' LEU . 17.3 Cg_exo -67.44 166.38 23.9 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.858 2.372 . . . . 1.0 112.533 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.578 ' HD2' ' HA2' ' A' 2417 ' ' GLY . 78.1 mtp180 -78.65 67.9 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.108 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -123.14 110.59 15.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.682 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mttm -132.74 148.12 68.24 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.972 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.69 63.91 4.77 Favored 'Trans proline' 0 C--N 1.334 -0.205 0 C-N-CA 123.435 2.757 . . . . 1.0 111.926 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.457 ' NZ ' ' HB3' ' A' 2333 ' ' LYS . 9.3 mtpm? -124.75 -174.82 3.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.46 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2334 ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' 2334 ' ' GLU . 0.2 OUTLIER -81.03 78.31 7.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.054 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.33 65.95 1.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.64 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.38 90.93 8.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.639 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.9 172.92 12.31 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.426 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.4 m -90.47 28.22 1.53 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.706 0.765 . . . . 1.0 109.755 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 94.8 mt -109.34 67.92 0.66 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.119 -0.946 . . . . 1.0 111.749 -171.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -99.54 29.56 4.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 169.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' 2329 ' ' ARG . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' 2328 ' ' PRO . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.428 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2365 ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.602 ' O ' HG23 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2368 ' ' ARG . . . . . 0.498 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.797 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.797 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.406 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' 2381 ' ' ALA . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.444 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.461 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2399 ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.777 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.51 HD22 HG21 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2413 ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2417 ' ' GLY . . . . . 0.578 ' HA2' ' HD2' ' A' 2329 ' ' ARG . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2418 ' ' HIS . . . . . 0.401 ' HB3' ' HB1' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.777 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.488 ' HB1' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.422 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.572 HG21 HG21 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2442 ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' 2446 ' ' ALA . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.599 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.601 ' HA ' HD23 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.572 HG21 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.488 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.405 ' O ' HG23 ' A' 2471 ' ' VAL . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.555 HD11 HG23 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.557 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -127.57 147.34 50.34 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -100.75 88.84 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.816 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -119.03 84.73 2.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.458 0.647 . . . . 1.0 109.441 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -77.56 102.35 6.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.805 -1.089 . . . . 1.0 110.605 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.175 -0.917 . . . . 1.0 109.552 177.464 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 2294 ' ' GLY . . . . . 0.458 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.987 -0.445 . . . . 1.0 111.987 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2295 ' ' ILE . . . . . 0.763 HD13 ' H ' ' A' 2295 ' ' ILE . 0.2 OUTLIER -83.15 -16.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 1.0 110.741 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.2 p30 -108.29 149.08 38.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 1.0 110.449 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.48 15.26 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 123.864 3.043 . . . . 1.0 113.338 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -103.43 -28.4 11.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.362 0.601 . . . . 1.0 110.839 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.458 ' HG1' ' N ' ' A' 2294 ' ' GLY . 3.7 p -90.33 70.73 7.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.507 -0.77 . . . . 1.0 112.168 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.21 115.35 17.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2380 ' ' PRO . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' 2299 ' ' THR . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.602 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt -94.58 108.71 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -120.24 112.69 34.37 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.801 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.546 ' CD ' HD22 ' A' 2346 ' ' LEU . 48.7 Cg_exo -56.57 135.44 70.4 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.548 2.166 . . . . 1.0 110.505 171.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -126.72 96.52 4.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.964 0.411 . . . . 1.0 110.178 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -68.29 120.53 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.978 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.609 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 40.0 mmtm -67.62 152.57 96.15 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.788 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.7 84.2 0.08 OUTLIER 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.102 2.535 . . . . 1.0 112.501 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.609 ' HE2' ' HB2' ' A' 2331 ' ' LYS . 36.9 mtmt -139.08 -162.68 1.35 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.058 . . . . 1.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2334 ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' 2336 ' ' ASP . 14.0 pt-20 -88.71 169.18 11.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -88.7 15.66 7.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.967 0.413 . . . . 1.0 111.796 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2336 ' ' ASP . . . . . 0.509 ' H ' ' HG3' ' A' 2334 ' ' GLU . 22.2 t70 -76.93 113.85 15.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.766 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 53.34 -99.75 0.09 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 123.958 0.786 . . . . 1.0 111.809 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m 57.85 35.77 25.73 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.552 0.533 . . . . 1.0 110.917 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.543 ' HB3' ' HG3' ' A' 2342 ' ' GLU . 38.8 mt 58.43 84.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.048 -0.978 . . . . 1.0 112.316 -177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' 2344 ' ' GLN . 56.8 t30 -81.49 -18.6 44.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 172.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' 2345 ' ' ILE . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' 2339 ' ' LEU . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.522 HG23 HD11 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.546 HD22 ' CD ' ' A' 2328 ' ' PRO . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.47 HD22 HG22 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2360 ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.496 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.7 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.452 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2388 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2384 ' ' LEU . 77.1 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.435 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.533 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.5 HG22 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.495 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2413 ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2418 ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.403 HG23 HG13 ' A' 2471 ' ' VAL . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2426 ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.536 ' O ' HG23 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2430 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.749 ' HA ' HG22 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.748 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.7 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2449 ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2451 ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2455 ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.526 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.441 ' HA ' HD23 ' A' 2439 ' ' LEU . 51.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2461 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.71 HG21 HG21 ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.441 ' HD3' ' O ' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2465 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.522 HD11 HG23 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.474 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -147.25 172.95 13.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -119.14 99.62 6.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.985 0.421 . . . . 1.0 111.093 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -119.42 79.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.82 78.86 1.36 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.8 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.482 -0.77 . . . . 1.0 109.775 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.089 -0.404 . . . . 1.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 2295 ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' 2295 ' ' ILE . 10.5 tt -165.95 27.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 122.572 1.177 . . . . 1.0 107.831 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -146.81 149.33 35.92 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.34 -1.3 . . . . 1.0 111.458 -167.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -87.12 13.77 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.6 2.867 . . . . 1.0 112.027 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -98.63 -7.67 27.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.47 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 1.1 p -105.77 23.52 13.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.962 0.887 . . . . 1.0 110.575 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 -83.08 138.14 42.76 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.384 -1.28 . . . . 1.0 108.69 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.511 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt -66.91 -58.94 4.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 55.06 90.98 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 O-C-N 124.151 0.907 . . . . 1.0 112.465 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.17 95.28 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.479 2.119 . . . . 1.0 111.462 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -84.2 67.44 9.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.155 0.502 . . . . 1.0 111.247 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -156.39 101.49 2.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.161 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -90.7 144.53 30.57 Favored Pre-proline 0 N--CA 1.444 -0.733 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.73 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.065 2.51 . . . . 1.0 112.147 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -131.25 19.59 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.452 0.644 . . . . 1.0 110.265 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.36 134.23 1.46 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.735 -1.12 . . . . 1.0 109.107 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 54.76 57.03 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.775 0.672 . . . . 1.0 110.874 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.8 97.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.168 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.44 -166.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.158 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 3.9 p -88.95 34.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.314 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 95.1 mt -100.83 87.72 3.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.212 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 -133.02 13.8 4.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.133 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.504 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.511 HG23 HD11 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.605 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.605 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2404 ' ' THR . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.507 HD11 HD23 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.511 ' HG ' HG13 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.511 HG13 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.567 ' H ' HG22 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 21.5 m120 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 2385 ' ' ASP . . . . . 0.739 ' H ' HD13 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.472 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2356 ' ' THR . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2421 ' ' GLN . . . . . 0.457 ' NE2' ' HB3' ' A' 2478 ' ' ALA . 7.4 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2422 ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2424 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' 2471 ' ' VAL . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.546 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.519 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2437 ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' 2434 ' ' SER . 58.1 tp60 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.541 ' HB2' HG11 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.593 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2461 ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.519 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2465 ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.511 HD11 HG23 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' 2471 ' ' VAL . 19.1 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2478 ' ' ALA . . . . . 0.457 ' HB3' ' NE2' ' A' 2421 ' ' GLN . . . -154.73 95.82 1.81 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2479 ' ' ALA . . . . . 0.538 ' HB1' ' HG3' ' A' 2481 ' ' GLU . . . -78.99 134.05 36.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.286 -171.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -93.02 21.87 5.42 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.736 -1.12 . . . . 1.0 109.852 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 2481 ' ' GLU . . . . . 0.538 ' HG3' ' HB1' ' A' 2479 ' ' ALA . 39.6 mt-10 -66.97 97.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.275 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.458 -0.782 . . . . 1.0 109.885 -178.267 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.267 -0.333 . . . . 1.0 112.267 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 57.9 mt -120.48 121.77 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 1.0 110.418 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.57 135.09 68.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.933 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.42 3.59 6.77 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.209 2.606 . . . . 1.0 113.085 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' 2299 ' ' THR . 70.8 m-85 -130.97 -77.17 0.53 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.914 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2298 ' ' PHE . 14.8 t 171.51 35.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 -59.65 115.0 10.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 114.402 -1.272 . . . . 1.0 110.932 -174.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2308 ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 2319 ' ' ALA . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt -66.09 -44.01 85.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.418 ' HB2' ' NZ ' ' A' 2327 ' ' LYS . 4.6 ttmp? 71.53 122.95 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.283 0 O-C-N 124.087 0.867 . . . . 1.0 112.036 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.91 143.38 72.77 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.36 2.04 . . . . 1.0 110.424 172.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 2329 ' ' ARG . 0.1 OUTLIER -79.66 78.55 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.211 0.529 . . . . 1.0 110.899 -176.431 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.07 93.0 6.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.583 -0.735 . . . . 1.0 109.952 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 29.9 mmmt -104.56 162.47 19.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.416 -0.811 . . . . 1.0 109.649 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2332 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 27.0 Cg_endo -66.19 58.39 0.45 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.231 2.62 . . . . 1.0 113.311 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? 174.33 175.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.707 1.203 . . . . 1.0 108.584 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2334 ' ' GLU . . . . . 0.638 ' HG3' ' H ' ' A' 2336 ' ' ASP . 9.6 tp10 -86.06 140.66 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.927 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -117.9 23.46 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.322 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2336 ' ' ASP . . . . . 0.638 ' H ' ' HG3' ' A' 2334 ' ' GLU . 28.2 t70 -78.22 105.68 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.306 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -143.38 173.54 11.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.495 -0.775 . . . . 1.0 109.188 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m -82.46 36.2 0.47 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.329 0.585 . . . . 1.0 110.926 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.06 22.04 2.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.695 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' 2343 ' ' GLU . 8.4 p30 -85.44 14.78 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.327 -0.852 . . . . 1.0 110.341 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.518 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.553 HG23 HD11 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2404 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.561 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.414 HG11 ' CZ3' ' A' 2389 ' ' TRP . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.616 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2382 ' ' ASN . . . . . 0.536 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.759 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.414 ' CZ3' HG11 ' A' 2376 ' ' VAL . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 2398 ' ' ARG . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' 2435 ' ' THR . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2403 ' ' ALA . . . . . 0.401 ' HA ' ' ND2' ' A' 2406 ' ' ASN . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2356 ' ' THR . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' 2401 ' ' ALA . 27.3 t-20 -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2406 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 2403 ' ' ALA . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2414 ' ' ALA . . . . . 0.592 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2419 ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.588 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2422 ' ' GLU . . . . . 0.453 ' HA ' ' HZ ' ' A' 2480 ' ' PHE . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.498 HD12 ' CE2' ' A' 2480 ' ' PHE . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.598 ' HA ' HG12 ' A' 2400 ' ' VAL . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.724 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.594 ' HB2' HG11 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.758 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2449 ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.758 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.65 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD23 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.533 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2461 ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2465 ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2468 ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.553 HD11 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.518 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 2471 ' ' VAL . 24.2 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.551 ' HZ3' ' HB3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2478 ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' 2480 ' ' PHE . . . -105.56 160.42 15.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -104.81 33.65 3.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.891 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' 2425 ' ' ILE . 81.5 m-85 -82.37 67.01 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.543 0.687 . . . . 1.0 110.302 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.89 46.65 1.29 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.161 -0.927 . . . . 1.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 114.786 -1.097 . . . . 1.0 109.912 179.441 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.853 -0.499 . . . . 1.0 111.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 35.8 pt -81.78 4.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 1.0 110.569 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.05 152.61 41.5 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.14 -0.936 . . . . 1.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.57 9.49 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.106 2.537 . . . . 1.0 112.125 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.93 18.38 22.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.15 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 7.4 t -80.16 65.16 5.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.869 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.462 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 -62.77 122.83 76.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.435 -0.802 . . . . 1.0 109.563 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.659 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2312 ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2318 ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.497 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt -103.4 161.57 13.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.568 ' HD2' ' HA ' ' A' 2330 ' ' ALA . 25.0 ttmm -119.36 122.71 29.21 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.815 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2327 ' ' LYS . 17.9 Cg_endo -61.42 107.43 0.49 Allowed 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.502 2.135 . . . . 1.0 110.792 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.842 ' HD2' ' HD3' ' A' 2333 ' ' LYS . 38.5 ttp180 64.18 81.37 0.21 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.527 -0.76 . . . . 1.0 109.427 -172.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2330 ' ' ALA . . . . . 0.568 ' HA ' ' HD2' ' A' 2327 ' ' LYS . . . -68.1 156.83 36.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.517 ' HB2' ' HD2' ' A' 2332 ' ' PRO . 23.7 pttm 55.51 156.3 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 125.269 1.428 . . . . 1.0 113.618 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2332 ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' 2331 ' ' LYS . 18.9 Cg_endo -62.08 88.13 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.924 2.416 . . . . 1.0 112.291 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.842 ' HD3' ' HD2' ' A' 2329 ' ' ARG . 49.2 tttp -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.545 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.64 164.09 25.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -73.02 17.22 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -81.42 108.86 15.37 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.591 -0.892 . . . . 1.0 108.591 173.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.65 -70.23 0.31 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.664 0.269 . . . . 1.0 111.128 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2338 ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' 2339 ' ' LEU . 71.7 m 58.06 50.41 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.532 -176.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' 2338 ' ' SER . 95.2 mt 75.51 131.06 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.304 -1.316 . . . . 1.0 110.974 -176.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.54 28.73 1.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.62 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.474 ' HB2' HG21 ' A' 2415 ' ' VAL . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2404 ' ' THR . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.499 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.499 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.548 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.659 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.427 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.424 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2395 ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2399 ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.569 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2356 ' ' THR . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.546 HD22 HG21 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2422 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.719 HG23 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.563 ' O ' HG23 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.426 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' 2448 ' ' GLN . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.716 ' HA ' HD23 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.599 HD11 HG23 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.719 HG13 HG23 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.78 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.681 ' HB3' ' HB2' ' A' 2480 ' ' PHE . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -128.09 -89.51 0.53 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -173.25 25.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.417 . . . . 1.0 110.623 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.681 ' HB2' ' HB3' ' A' 2475 ' ' GLN . 97.0 m-85 -104.1 61.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.95 0.405 . . . . 1.0 111.191 -174.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -89.33 78.96 7.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.396 -0.965 . . . . 1.0 108.396 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.801 -1.091 . . . . 1.0 110.057 -172.193 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 111.921 -0.472 . . . . 1.0 111.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 62.2 mt -90.97 -72.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.52 ' HB3' ' HD2' ' A' 2297 ' ' PRO . 10.5 m-20 67.56 158.2 0.14 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.07 0.857 . . . . 1.0 112.211 168.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' 2296 ' ' ASP . 18.8 Cg_endo -64.82 -70.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.367 2.045 . . . . 1.0 112.005 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.434 ' CD2' HG23 ' A' 2299 ' ' THR . 28.3 p90 -145.6 3.09 0.97 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.699 -0.682 . . . . 1.0 112.363 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.434 HG23 ' CD2' ' A' 2298 ' ' PHE . 1.3 p -146.14 101.54 3.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.875 0.695 . . . . 1.0 112.875 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 -102.14 121.18 51.33 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 166.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.632 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.632 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' 2412 ' ' ASN . 96.7 mt -98.1 120.37 38.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' 2328 ' ' PRO . 87.4 tttt -146.63 123.19 5.72 Favored Pre-proline 0 C--N 1.314 -0.937 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.686 ' HG3' ' HG2' ' A' 2343 ' ' GLU . 10.2 Cg_endo -53.69 106.3 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.016 2.477 . . . . 1.0 111.926 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.83 135.0 34.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -70.83 107.28 3.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.324 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 34.9 mmtp -80.15 153.63 74.59 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 115.375 -0.829 . . . . 1.0 109.231 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.0 86.84 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.724 2.283 . . . . 1.0 111.198 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' A' 2336 ' ' ASP . 67.4 mttm -111.95 142.36 44.46 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.297 -0.865 . . . . 1.0 110.502 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -129.41 97.98 4.73 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 67.44 19.31 10.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.597 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2336 ' ' ASP . . . . . 0.541 ' O ' ' HD3' ' A' 2333 ' ' LYS . 27.6 t70 -109.77 105.37 14.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.106 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.06 131.18 50.24 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.318 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 22.6 m -99.59 26.89 5.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.631 0.729 . . . . 1.0 109.336 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 75.4 mt 66.39 163.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.052 -1.431 . . . . 1.0 111.571 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 -84.74 0.99 48.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.686 ' HG2' ' HG3' ' A' 2328 ' ' PRO . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.531 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.485 HD12 HD23 ' A' 2456 ' ' LEU . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.561 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' 2371 ' ' VAL . 34.8 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' 2445 ' ' LYS . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' 2381 ' ' ALA . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.43 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.598 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.606 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 2398 ' ' ARG . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.666 HG22 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.639 HD22 HG21 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.515 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2409 ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' 2326 ' ' LEU . 4.8 t30 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.413 HG23 HG13 ' A' 2471 ' ' VAL . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.535 ' O ' HG23 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.666 HG13 HG22 ' A' 2404 ' ' THR . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.801 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.592 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.631 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' 2370 ' ' LEU . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2451 ' ' GLU . . . . . 0.402 ' HG2' ' NH2' ' A' 2455 ' ' ARG . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.561 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2455 ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.485 HD23 HD12 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.456 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.801 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.515 HD11 HG23 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -143.13 -37.02 0.37 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 67.67 95.11 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 O-C-N 123.977 0.798 . . . . 1.0 111.36 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -103.91 16.01 27.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.679 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 2481 ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' 2481 ' ' GLU . 5.7 pt-20 -90.64 97.02 10.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 1.0 110.648 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.569 -0.729 . . . . 1.0 110.379 -179.392 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.186 -0.366 . . . . 1.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.88 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 1.0 110.349 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -111.38 153.46 44.1 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.624 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.65 17.1 1.17 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.081 2.521 . . . . 1.0 113.032 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -108.13 -3.31 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 1.0 110.558 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.451 ' HB ' HD11 ' A' 2304 ' ' ILE . 1.0 OUTLIER -115.29 83.36 1.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.439 0.638 . . . . 1.0 110.986 -177.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 -68.9 128.78 92.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.346 -0.843 . . . . 1.0 109.405 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.443 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.451 HD11 ' HB ' ' A' 2299 ' ' THR . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.755 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2312 ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt -80.38 123.61 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.569 ' HD2' ' HD2' ' A' 2328 ' ' PRO . 54.7 tptt -134.14 117.89 13.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.694 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.569 ' HD2' ' HD2' ' A' 2327 ' ' LYS . 26.3 Cg_exo -62.4 101.17 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.589 2.193 . . . . 1.0 111.808 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -82.97 75.88 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.146 0.498 . . . . 1.0 110.231 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -131.01 103.43 6.52 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.011 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 21.4 pttm -60.84 148.49 82.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.536 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.18 91.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.598 2.865 . . . . 1.0 112.858 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -110.84 125.93 54.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.914 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.91 106.57 10.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.51 30.82 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.908 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 38.1 t70 63.53 65.35 0.75 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.845 . . . . 1.0 110.116 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.44 148.66 52.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.982 -1.008 . . . . 1.0 110.398 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.2 m -115.49 37.17 3.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.674 0.75 . . . . 1.0 109.036 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.9 mt -87.22 53.88 2.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.964 -1.016 . . . . 1.0 110.914 -173.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 -99.41 16.51 22.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.882 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2349 ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.43 HD13 HD23 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2404 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2365 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' 2376 ' ' VAL . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.432 HG13 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 2370 ' ' LEU . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.432 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' 2381 ' ' ALA . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.576 ' H ' HG22 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.755 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.631 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2356 ' ' THR . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.527 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.785 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2421 ' ' GLN . . . . . 0.406 ' CD ' ' H ' ' A' 2421 ' ' GLN . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.785 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2424 ' ' LEU . . . . . 0.419 HD21 HD12 ' A' 2345 ' ' ILE . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.513 ' O ' HG23 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.554 HG13 HG22 ' A' 2404 ' ' THR . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2437 ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.484 ' HB2' HG11 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.619 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.615 HD23 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.65 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.3 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.569 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.473 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.831 ' HA ' ' HD2' ' A' 2480 ' ' PHE . 47.7 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -145.27 1.22 0.94 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.11 76.04 0.25 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.815 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.831 ' HD2' ' HA ' ' A' 2475 ' ' GLN . 40.0 m-85 -102.18 16.42 26.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 1.0 111.0 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.59 95.01 8.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.697 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.948 0 O-C-N 124.144 0.903 . . . . 1.0 110.807 -175.088 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.1 -42.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.892 0.377 . . . . 1.0 110.449 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.0 143.27 30.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.275 0.559 . . . . 1.0 110.62 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.69 -1.22 11.3 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.612 2.874 . . . . 1.0 114.805 -174.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.3 p90 -114.19 12.54 17.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.584 0.587 . . . . 1.0 112.584 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.69 69.89 4.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.245 0.545 . . . . 1.0 111.639 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 -79.05 128.32 76.65 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.439 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt -73.48 134.99 44.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 54.7 tttp -161.36 125.64 2.03 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.659 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 6.7 Cg_exo -73.47 84.96 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.856 2.37 . . . . 1.0 111.915 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -137.59 87.26 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.015 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2330 ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' 2331 ' ' LYS . . . -99.27 108.8 21.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' 2330 ' ' ALA . 12.8 ptmt 60.78 154.8 0.11 Allowed Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.442 1.089 . . . . 1.0 111.946 -171.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.84 64.07 3.19 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.856 2.371 . . . . 1.0 111.916 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 64.2 tttm -75.54 150.14 38.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.801 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.18 143.31 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.189 -0.3 . . . . 1.0 110.189 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -76.98 78.96 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.178 0.513 . . . . 1.0 111.467 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -137.71 99.86 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.824 175.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 48.67 -95.09 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.077 0.861 . . . . 1.0 111.865 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.6 m 59.19 38.18 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.196 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 97.6 mt 61.59 84.87 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.808 -1.087 . . . . 1.0 110.754 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 -85.93 -1.36 57.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.659 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' 2340 ' ' ASN . 65.5 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.633 HG23 HD11 ' A' 2470 ' ' LEU . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.401 HD13 ' HD3' ' A' 2328 ' ' PRO . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2404 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2361 ' ' LYS . . . . . 0.439 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.447 ' HA ' HD12 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' 2371 ' ' VAL . 37.2 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.565 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.623 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.574 HG21 HD22 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2356 ' ' THR . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2401 ' ' ALA . 3.2 t30 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.654 HG13 HG22 ' A' 2404 ' ' THR . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.649 HG21 HG22 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.574 HD22 HG21 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.529 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.724 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2451 ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.469 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.695 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2465 ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2466 ' ' ALA . . . . . 0.602 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.633 HD11 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -137.52 -48.58 0.58 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.7 101.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 123.721 0.638 . . . . 1.0 111.429 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.89 16.96 22.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.915 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 59.66 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.503 -176.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.637 -0.697 . . . . 1.0 109.741 177.74 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 2294 ' ' GLY . . . . . 0.464 ' HA3' HD11 ' A' 2379 ' ' ILE . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2295 ' ' ILE . . . . . 0.401 ' HA ' ' OD2' ' A' 2300 ' ' ASP . 15.3 tt -179.61 133.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 122.718 0.407 . . . . 1.0 109.926 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.513 ' HB2' ' HD2' ' A' 2298 ' ' PHE . 4.0 p30 -137.19 151.82 72.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 1.0 111.358 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.42 11.39 3.2 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.29 2.66 . . . . 1.0 112.6 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.513 ' HD2' ' HB2' ' A' 2296 ' ' ASP . 90.0 m-85 -90.8 -66.31 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.943 0.402 . . . . 1.0 110.802 -176.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 11.6 t -158.99 33.34 0.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.424 0.631 . . . . 1.0 111.438 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 -64.75 126.77 91.61 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.405 -0.816 . . . . 1.0 109.23 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2308 ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.407 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 2323 ' ' LEU . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.14 142.34 52.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 29.6 ttpp -127.27 116.74 21.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.784 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 2327 ' ' LYS . 24.3 Cg_exo -63.27 123.33 11.96 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.87 2.38 . . . . 1.0 112.337 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -93.39 130.27 39.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.986 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -138.81 114.66 10.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.298 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 64.0 pttt -71.19 147.13 93.19 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.438 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2332 ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' 2333 ' ' LYS . 30.8 Cg_endo -64.81 90.87 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.87 2.38 . . . . 1.0 112.335 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' 2332 ' ' PRO . 21.6 ttpp 174.57 29.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.986 -1.007 . . . . 1.0 109.086 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2334 ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' 2339 ' ' LEU . 2.8 mp0 -76.93 91.15 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 1.0 111.03 -174.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -119.7 57.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.556 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 22.5 t70 53.35 74.76 0.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.969 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -136.67 -148.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.44 -0.8 . . . . 1.0 109.01 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 21.5 m -85.05 24.35 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.601 0.715 . . . . 1.0 110.359 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 2334 ' ' GLU . 81.0 mt -100.62 146.32 27.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.105 -0.952 . . . . 1.0 109.187 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 70.63 6.74 5.95 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.84 0.712 . . . . 1.0 110.123 -173.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.522 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.595 HG23 HD21 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.59 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.59 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.536 HG23 HG13 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.541 ' HG ' HG13 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' 2370 ' ' LEU . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.492 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' 2381 ' ' ALA . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.492 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2391 ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' 2391 ' ' GLN . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' 2435 ' ' THR . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2410 ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' 2407 ' ' LEU . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.573 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.686 HG13 HG22 ' A' 2404 ' ' THR . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.564 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.729 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.596 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.596 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.624 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.536 HG13 HG23 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.564 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.595 HD21 HG23 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.522 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' 2471 ' ' VAL . 18.9 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -151.69 -171.06 3.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -124.5 95.36 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.946 0.403 . . . . 1.0 110.467 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -111.73 10.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.762 0.791 . . . . 1.0 109.393 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.76 81.97 5.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.609 -1.178 . . . . 1.0 110.689 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.819 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.083 -0.407 . . . . 1.0 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 5.4 tp -158.88 114.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' 2297 ' ' PRO . 8.0 p-10 -69.16 143.35 93.91 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.62 0.724 . . . . 1.0 111.336 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 2296 ' ' ASP . 96.8 Cg_endo -87.26 9.4 3.93 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.683 2.922 . . . . 1.0 112.257 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' 2380 ' ' PRO . 93.1 m-85 -95.37 -42.18 8.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.404 HG23 ' O ' ' A' 2299 ' ' THR . 11.4 t 48.78 53.18 12.79 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 124.374 1.046 . . . . 1.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.62 115.25 8.95 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.569 -1.196 . . . . 1.0 110.057 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.769 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt -66.05 143.63 57.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.1 tttp -132.29 108.63 13.62 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.28 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -71.25 124.53 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.396 2.064 . . . . 1.0 111.163 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.41 132.97 55.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.267 0.556 . . . . 1.0 110.657 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -107.86 121.08 44.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.213 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.828 ' HB2' ' HE3' ' A' 2333 ' ' LYS . 31.3 mmmt -61.44 147.07 88.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.441 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.49 87.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.75 2.3 . . . . 1.0 111.575 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.828 ' HE3' ' HB2' ' A' 2331 ' ' LYS . 87.2 mttt -119.79 146.27 45.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.759 . . . . 1.0 109.773 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -96.12 19.07 12.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.216 1.008 . . . . 1.0 109.021 173.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -100.81 110.32 22.39 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.369 -1.287 . . . . 1.0 109.717 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.22 99.85 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.373 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -113.76 101.79 9.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 65.54 6.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.567 0.698 . . . . 1.0 110.882 -174.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.61 95.73 5.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.949 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 -96.71 19.47 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.025 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.557 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.615 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' 2352 ' ' ILE . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.461 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' 2435 ' ' THR . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2361 ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.517 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.613 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.483 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' 2379 ' ' ILE . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.546 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2356 ' ' THR . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 2401 ' ' ALA . 36.0 t-20 -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.593 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' 2416 ' ' GLN . 4.8 t30 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2414 ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2419 ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.565 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.502 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.466 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.607 HG13 HG22 ' A' 2404 ' ' THR . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.558 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.54 HD22 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.591 HD21 ' HA3' ' A' 2460 ' ' GLY . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' 2453 ' ' MET . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.748 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.538 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.748 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.548 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.489 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.615 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2472 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.497 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -128.99 -0.42 5.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.8 77.38 0.21 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.779 0.675 . . . . 1.0 111.806 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' 2475 ' ' GLN . 39.0 m-85 -93.87 71.04 4.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.0 110.973 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.13 93.17 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.217 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 114.939 -1.028 . . . . 1.0 110.629 -174.837 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.789 -0.525 . . . . 1.0 111.789 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 56.2 mt -90.46 82.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 175.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' 2380 ' ' PRO . 15.3 m-20 -111.41 145.92 33.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 1.0 110.681 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.91 -8.42 23.55 Favored 'Trans proline' 0 C--N 1.334 -0.201 0 C-N-CA 123.702 2.935 . . . . 1.0 113.819 -171.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 50.3 p90 -106.04 -2.47 22.72 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.215 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.6 p -109.14 76.5 1.01 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 1.0 111.187 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 -69.71 117.14 50.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.575 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.526 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2308 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' 2357 ' ' SER . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2318 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.486 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.11 138.97 31.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' 2329 ' ' ARG . 8.2 tmtm? -95.63 117.25 66.59 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 116.078 -0.51 . . . . 1.0 109.678 -177.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' 2329 ' ' ARG . 2.7 Cg_exo -74.24 63.57 5.27 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.085 2.523 . . . . 1.0 112.715 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' 2328 ' ' PRO . 27.8 tpt180 164.0 154.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.274 0.984 . . . . 1.0 108.998 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -72.95 137.44 45.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.26 150.92 61.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 1.0 111.279 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.35 91.68 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.287 2.658 . . . . 1.0 112.36 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.79 32.24 5.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.822 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.78 28.64 17.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.811 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -111.36 82.42 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.365 -0.834 . . . . 1.0 110.229 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.14 84.62 6.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.646 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -92.83 146.08 23.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.052 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.2 m -86.43 32.44 0.64 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.588 0.709 . . . . 1.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 86.8 mt -98.68 89.31 4.32 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 1.0 109.999 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' 2344 ' ' GLN . 63.8 t30 -98.33 0.05 44.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.564 HG23 HD11 ' A' 2470 ' ' LEU . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.668 HG23 HG13 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2404 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2357 ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2360 ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' 2309 ' ' LEU . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.526 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.416 ' O ' HD23 ' A' 2370 ' ' LEU . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.789 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.682 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.581 ' HB2' HD12 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.901 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.682 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.531 ' HB3' ' O ' ' A' 2296 ' ' ASP . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2382 ' ' ASN . . . . . 0.489 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.901 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.681 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2399 ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.709 HG12 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2403 ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' 2431 ' ' VAL . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2356 ' ' THR . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.588 ' HB2' HG21 ' A' 2431 ' ' VAL . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 5.3 t30 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2421 ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.631 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.709 ' HA ' HG12 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' 2453 ' ' MET . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.789 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.401 ' HB3' ' O ' ' A' 2450 ' ' SER . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.525 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2461 ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.668 HG13 HG23 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.512 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.401 ' O ' HG23 ' A' 2471 ' ' VAL . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.564 HD11 HG23 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2472 ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.536 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.546 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2477 ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -119.51 -169.84 1.83 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.38 32.43 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 19.1 p90 -120.51 19.83 11.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.71 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -96.59 45.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.917 0.865 . . . . 1.0 109.799 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 114.92 -1.036 . . . . 1.0 109.818 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.817 -0.513 . . . . 1.0 111.817 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.36 170.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.32 147.54 33.92 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.217 0.532 . . . . 1.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -84.75 18.98 1.46 Allowed 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 123.873 3.049 . . . . 1.0 112.661 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -108.94 -58.48 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 1.0 111.269 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 25.0 p 49.33 66.97 0.96 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.997 -1.001 . . . . 1.0 110.733 -171.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.496 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 -75.2 120.24 80.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.524 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.528 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' 2310 ' ' LEU . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2307 ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' 2306 ' ' GLU . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 2313 ' ' ALA . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.574 HD13 HD12 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.574 HD12 HD13 ' A' 2323 ' ' LEU . 87.2 mt -70.89 95.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 12.2 tptp -85.44 141.84 37.11 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.31 -173.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.65 135.79 6.89 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.568 2.845 . . . . 1.0 112.618 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 2415 ' ' VAL . 28.0 mmm180 -113.96 -174.4 2.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.136 -173.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2330 ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' 2339 ' ' LEU . . . 69.25 155.69 0.13 Allowed 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.068 0.855 . . . . 1.0 112.61 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.33 151.33 77.94 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.649 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 83.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 123.022 2.481 . . . . 1.0 112.608 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.495 ' HG3' HD12 ' A' 2339 ' ' LEU . 33.7 mmtp -86.86 172.67 9.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.806 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.59 157.84 24.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.746 -0.835 . . . . 1.0 108.746 172.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -77.0 77.11 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -157.84 30.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.457 1.123 . . . . 1.0 109.167 169.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -139.59 153.69 47.43 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.837 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 50.5 m -82.63 35.19 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.161 0.505 . . . . 1.0 111.447 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.495 HD12 ' HG3' ' A' 2333 ' ' LYS . 95.2 mt -97.09 78.97 2.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.005 -0.739 . . . . 1.0 109.005 177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 169.83 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.52 -1.218 . . . . 1.0 108.953 -170.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 2344 ' ' GLN . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.545 HG23 HD21 ' A' 2470 ' ' LEU . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.601 HG23 HG13 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.686 HG22 HG21 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2360 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.445 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2368 ' ' ARG . . . . . 0.541 ' HA ' HG12 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 2366 ' ' ALA . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' 2445 ' ' LYS . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' 2381 ' ' ALA . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.508 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2382 ' ' ASN . . . . . 0.491 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2388 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.445 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.672 HG21 HG21 ' A' 2356 ' ' THR . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.573 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2413 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2418 ' ' HIS . . . . . 0.522 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.545 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.686 HG21 HG22 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.55 ' HB2' HG11 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2442 ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.42 ' HA ' HD22 ' A' 2370 ' ' LEU . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.587 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.669 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.601 HG13 HG23 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.413 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2466 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.545 HD21 HG23 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -115.75 -30.6 6.07 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 69.68 91.32 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.381 -0.827 . . . . 1.0 111.918 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -112.55 29.22 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 2481 ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' 2482 ' ' ASP . 36.2 tt0 -86.0 126.19 33.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.105 -0.952 . . . . 1.0 110.197 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 2482 ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' 2481 ' ' GLU . 13.2 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.822 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2294 ' ' GLY . . . . . 0.774 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.443 -0.263 . . . . 1.0 112.443 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.41 -53.56 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.267 0.556 . . . . 1.0 110.521 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.45 148.34 83.09 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.658 ' HA ' ' HG2' ' A' 2380 ' ' PRO . 84.0 Cg_endo -80.53 15.91 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 123.22 2.614 . . . . 1.0 112.935 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.44 0.16 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.145 0.497 . . . . 1.0 110.95 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.774 ' HG1' ' N ' ' A' 2294 ' ' GLY . 0.9 OUTLIER -102.82 59.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.573 . . . . 1.0 110.461 175.624 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.83 118.98 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.861 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.489 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2312 ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2318 ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' 2350 ' ' LYS . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 2320 ' ' ALA . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 79.2 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt -79.08 135.17 36.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.23 125.38 9.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.459 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.86 124.54 16.51 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.277 1.984 . . . . 1.0 110.506 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -47.53 114.83 0.96 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.996 0.81 . . . . 1.0 112.969 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.89 130.96 44.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.07 -0.968 . . . . 1.0 109.506 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' 2334 ' ' GLU . 8.3 mtpm? -89.27 155.21 49.19 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.139 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2332 ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 1.2 Cg_endo -48.0 95.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 124.079 3.186 . . . . 1.0 112.741 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 47.0 mtpt 62.82 30.64 16.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.95 -1.477 . . . . 1.0 111.343 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2334 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 2331 ' ' LYS . 34.6 tt0 -155.51 115.55 3.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.298 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -116.27 18.12 15.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -80.15 81.69 6.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.18 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -113.3 134.37 54.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 63.4 m -91.57 30.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.514 0.674 . . . . 1.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.28 105.6 5.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.887 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 -105.5 11.82 32.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.604 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.616 HG23 HD11 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.545 HG23 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2404 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2357 ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2361 ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.519 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.537 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.541 HG23 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.658 ' HG2' ' HA ' ' A' 2297 ' ' PRO . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.613 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.729 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2387 ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.552 ' CG ' ' HD2' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2391 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2356 ' ' THR . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.592 ' O ' ' HB3' ' A' 2408 ' ' CYS . 5.4 t30 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 26.5 t30 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.447 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2421 ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.447 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.578 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.6 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 2427 ' ' SER . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.754 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.667 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.572 ' HB2' HG11 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.729 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.565 ' HA ' HD23 ' A' 2439 ' ' LEU . 61.4 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.455 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.545 HG13 HG23 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.754 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.616 HD11 HG23 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2478 ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' 2421 ' ' GLN . . . -142.58 98.23 3.26 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.042 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.67 74.0 1.21 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.817 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -124.59 41.84 3.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.602 0.715 . . . . 1.0 110.168 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.327 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.25 157.12 29.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.923 0.392 . . . . 1.0 110.43 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.9 p30 -128.26 149.75 72.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.848 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.527 ' HA ' ' OD2' ' A' 2300 ' ' ASP . 93.2 Cg_endo -77.97 17.23 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.355 2.703 . . . . 1.0 112.984 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -103.84 -24.55 13.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.243 0.544 . . . . 1.0 110.242 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 20.1 p -114.33 34.79 4.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.366 -0.834 . . . . 1.0 111.592 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.527 ' OD2' ' HA ' ' A' 2297 ' ' PRO . 9.2 m-20 -73.79 114.95 37.24 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 173.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.491 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2312 ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' 2320 ' ' ALA . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.429 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt -72.41 -44.97 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 52.3 tttm 71.96 140.06 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 O-C-N 123.841 0.713 . . . . 1.0 112.417 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -59.04 166.86 6.39 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.715 2.277 . . . . 1.0 111.755 171.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2329 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2339 ' ' LEU . 33.5 mtp180 -70.96 169.89 13.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.284 0.564 . . . . 1.0 111.559 -175.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -73.92 -171.97 1.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.526 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -42.13 142.96 1.09 Allowed Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.724 -1.125 . . . . 1.0 111.582 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.79 97.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.13 3.22 . . . . 1.0 113.113 -170.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.3 155.95 39.64 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.258 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -148.25 28.36 0.91 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.577 0.704 . . . . 1.0 109.718 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -122.82 10.6 9.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.384 -0.825 . . . . 1.0 111.065 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2336 ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' 2337 ' ' GLU . 5.8 p-10 -148.83 46.15 1.01 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.171 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2337 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 2336 ' ' ASP . 51.2 mm-40 65.6 162.52 0.15 Allowed 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 114.64 -1.164 . . . . 1.0 111.245 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 43.6 m -85.72 67.23 9.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 175.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.419 ' HB2' ' NH1' ' A' 2329 ' ' ARG . 90.0 mt -86.42 95.5 9.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.412 -175.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 -113.43 7.35 17.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 171.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2349 ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.441 HG21 HG21 ' A' 2404 ' ' THR . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.444 HD11 HD23 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' 2381 ' ' ALA . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2387 ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.526 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2391 ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' 2387 ' ' GLY . 47.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.56 HG22 HG13 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.608 ' HB2' HG21 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2409 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.728 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.646 HG23 HG13 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.76 ' HA ' HG22 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.424 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.625 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 2439 ' ' LEU . 64.1 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2465 ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.646 HG13 HG23 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -158.35 -170.61 3.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -106.07 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.009 0.433 . . . . 1.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.67 90.74 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.881 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.24 92.16 2.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.003 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.941 178.103 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 2294 ' ' GLY . . . . . 0.469 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.461 -0.256 . . . . 1.0 112.461 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2295 ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' 2295 ' ' ILE . 9.9 tp -102.21 35.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 122.485 1.136 . . . . 1.0 108.962 175.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.65 154.1 55.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.827 -1.079 . . . . 1.0 110.816 -173.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.45 21.59 0.83 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.398 2.732 . . . . 1.0 113.056 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -110.55 -45.49 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.398 0.618 . . . . 1.0 110.97 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.469 ' HG1' ' N ' ' A' 2294 ' ' GLY . 16.6 p -89.0 66.85 7.99 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.536 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.429 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 -80.86 123.91 81.95 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 171.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' 2310 ' ' LEU . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2308 ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' 2306 ' ' GLU . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2318 ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.505 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2321 ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.553 ' HB2' ' NZ ' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt -84.69 121.08 27.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -115.81 119.35 37.53 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.273 -0.876 . . . . 1.0 109.247 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.52 131.02 43.18 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.389 2.059 . . . . 1.0 111.275 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -74.73 71.37 1.94 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.485 0.659 . . . . 1.0 110.718 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -161.33 130.67 4.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.827 -1.079 . . . . 1.0 109.063 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 145.2 95.19 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.342 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.78 84.7 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.603 2.202 . . . . 1.0 111.152 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 65.2 tttm -134.73 124.49 25.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.818 -1.083 . . . . 1.0 109.678 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.34 99.45 4.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -103.95 133.67 48.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.357 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.97 74.71 8.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.515 0.674 . . . . 1.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.84 -162.72 1.61 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.038 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.4 m -89.99 30.24 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.629 0.728 . . . . 1.0 110.057 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.63 91.08 7.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.942 -1.027 . . . . 1.0 109.534 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 175.26 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.928 -1.033 . . . . 1.0 109.63 -172.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.558 HG23 HD11 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2404 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' 2435 ' ' THR . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2365 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 2368 ' ' ARG . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.74 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.666 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2368 ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' 2365 ' ' ALA . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.698 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2356 ' ' THR . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2421 ' ' GLN . . . . . 0.425 HE22 ' HZ ' ' A' 2341 ' ' PHE . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.464 HG23 HG13 ' A' 2471 ' ' VAL . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2426 ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2430 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.572 HG13 HG22 ' A' 2404 ' ' THR . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.59 HG21 HG22 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.701 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.564 ' HB2' HG11 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.464 ' HB3' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.416 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2455 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 2455 ' ' ARG . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.558 HD11 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2478 ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' 2480 ' ' PHE . . . -160.76 -161.79 0.88 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -116.93 98.72 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.165 0.507 . . . . 1.0 110.368 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' 2478 ' ' ALA . 75.4 m-85 -125.75 85.46 2.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.63 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.32 72.93 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.207 -1.034 . . . . 1.0 108.207 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.113 -0.949 . . . . 1.0 109.898 -173.657 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.998 -0.441 . . . . 1.0 111.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 12.6 tt -150.98 136.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.329 -0.249 . . . . 1.0 110.329 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.671 ' HB3' ' HB2' ' A' 2300 ' ' ASP . 0.0 OUTLIER 63.82 145.95 0.09 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.658 1.183 . . . . 1.0 112.773 177.668 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2297 ' ' PRO . . . . . 0.415 ' HD2' ' HG3' ' A' 2380 ' ' PRO . 44.5 Cg_endo -76.74 -54.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.585 2.19 . . . . 1.0 112.628 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.1 -3.66 0.37 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.304 -0.862 . . . . 1.0 112.633 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' 2380 ' ' PRO . 6.3 p -162.71 111.58 1.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.743 0.417 . . . . 1.0 110.386 -174.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.671 ' HB2' ' HB3' ' A' 2296 ' ' ASP . 16.6 t70 -117.5 115.06 37.83 Favored Pre-proline 0 C--N 1.315 -0.901 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 173.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2302 ' ' THR . . . . . 0.508 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' 2300 ' ' ASP . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 60.8 mt -75.96 103.87 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -103.2 120.26 52.66 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.42 82.64 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.589 2.193 . . . . 1.0 112.439 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -87.87 150.88 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.469 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -88.8 160.94 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.27 0.557 . . . . 1.0 111.41 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.507 ' HD2' ' HE2' ' A' 2333 ' ' LYS . 46.9 mttp -89.35 156.15 48.53 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.176 -0.92 . . . . 1.0 110.011 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.08 73.25 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.046 2.498 . . . . 1.0 112.361 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.507 ' HE2' ' HD2' ' A' 2331 ' ' LYS . 60.2 pttt -167.72 157.65 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.0 109.467 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.4 121.65 16.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.792 0.329 . . . . 1.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -84.58 106.36 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 7.0 t70 -116.4 23.68 11.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.244 1.021 . . . . 1.0 109.86 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -147.56 151.6 36.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.812 -1.54 . . . . 1.0 109.078 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 20.8 t -80.6 90.55 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 83.2 mt -88.92 72.54 8.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.757 -177.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' 2344 ' ' GLN . 46.7 t30 -93.81 -2.13 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.553 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.568 HG23 HD11 ' A' 2470 ' ' LEU . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.79 HG23 HG13 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2404 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.417 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.468 ' HB3' HG13 ' A' 2376 ' ' VAL . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' 2370 ' ' LEU . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.508 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' 2381 ' ' ALA . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2380 ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.563 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2383 ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2384 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2387 ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2388 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.414 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 99.6 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.626 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2399 ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2356 ' ' THR . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.66 HD21 HD12 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.444 ' O ' ' HG2' ' A' 2416 ' ' GLN . 5.4 t30 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2416 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.487 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.581 ' O ' HG23 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.746 ' HA ' HG12 ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.711 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 16.1 tm0? -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.602 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.417 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.549 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.64 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.634 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.79 HG13 HG23 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2466 ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.568 HD11 HG23 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2472 ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.524 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' 2471 ' ' VAL . 47.4 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -145.71 165.24 29.36 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -131.01 78.86 1.86 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.229 0.538 . . . . 1.0 110.531 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 4.1 p90 -124.92 84.7 2.31 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.871 0.843 . . . . 1.0 111.012 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.83 38.4 1.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.344 1.069 . . . . 1.0 109.25 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 113.87 -1.513 . . . . 1.0 109.696 -177.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 112.645 -0.182 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.4 pt -101.1 21.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 1.0 109.647 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2296 ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' 2298 ' ' PHE . 10.0 p-10 -141.11 147.2 46.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.025 -0.989 . . . . 1.0 110.356 -172.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.86 -11.11 10.26 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.672 2.248 . . . . 1.0 114.023 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2298 ' ' PHE . . . . . 0.521 ' HD1' ' H ' ' A' 2300 ' ' ASP . 25.8 p90 -92.96 -29.46 15.85 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 -172.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 31.8 p 48.78 40.0 15.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.354 0.662 . . . . 1.0 111.836 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.521 ' H ' ' HD1' ' A' 2298 ' ' PHE . 10.9 t70 -84.21 125.65 71.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.699 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2301 ' ' PRO . . . . . 0.406 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.708 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2324 ' ' GLU . . . . . 0.46 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt -81.69 143.74 31.66 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.7 113.32 9.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 110.132 -0.321 . . . . 1.0 110.132 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.495 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 36.2 Cg_exo -60.55 132.1 41.49 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.525 2.15 . . . . 1.0 111.277 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.88 100.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -129.93 142.79 50.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.867 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.78 151.84 37.7 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.235 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.61 90.29 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.691 2.261 . . . . 1.0 110.964 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -156.08 137.54 14.02 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.873 -176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -90.72 99.59 12.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.584 -0.895 . . . . 1.0 108.584 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -133.14 132.74 42.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.565 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.39 97.91 0.31 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.457 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -108.75 149.84 28.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.401 0.619 . . . . 1.0 111.362 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 52.8 m -133.96 29.52 3.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.304 1.05 . . . . 1.0 108.413 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.8 mt -123.71 32.46 5.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.692 -1.595 . . . . 1.0 109.463 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 -90.79 19.91 5.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.584 -0.734 . . . . 1.0 109.524 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.447 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.495 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.68 HG23 HD11 ' A' 2470 ' ' LEU . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.69 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2343 ' ' GLU . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.69 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.584 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 2370 ' ' LEU . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.572 HG13 ' HB1' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.572 ' HB1' HG13 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.584 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.401 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.565 ' O ' HG13 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.614 HG21 HD22 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.662 HG22 HG13 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.495 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2424 ' ' LEU . . . . . 0.41 HD21 HD12 ' A' 2345 ' ' ILE . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.565 HG23 HG13 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG23 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.662 HG13 HG22 ' A' 2404 ' ' THR . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.582 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.614 HD22 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.482 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.665 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2451 ' ' GLU . . . . . 0.426 ' HA ' ' HE3' ' A' 2454 ' ' LYS . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' 2451 ' ' GLU . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.68 HD11 HG23 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.565 HG13 HG23 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' 2471 ' ' VAL . 20.0 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -135.98 -165.78 1.76 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -143.03 93.93 2.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.061 0.458 . . . . 1.0 110.823 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.18 18.36 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.042 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 41.15 51.72 3.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.952 -1.022 . . . . 1.0 112.036 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.947 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 2294 ' ' GLY . . . . . 0.595 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 112.676 -0.17 . . . . 1.0 112.676 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2295 ' ' ILE . . . . . 0.503 HD13 ' H ' ' A' 2295 ' ' ILE . 0.2 OUTLIER -62.95 -27.6 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.024 0.44 . . . . 1.0 111.119 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -89.56 153.04 47.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.599 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -83.53 15.81 2.04 Favored 'Trans proline' 0 C--N 1.331 -0.383 0 C-N-CA 123.428 2.752 . . . . 1.0 113.217 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.99 -28.69 8.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.857 0.36 . . . . 1.0 111.69 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2299 ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' 2294 ' ' GLY . 4.9 p -85.6 65.51 9.2 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.219 0.533 . . . . 1.0 111.407 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 -69.88 121.03 81.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.786 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.544 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2310 ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2312 ' ' ALA . . . . . 0.458 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.403 ' HB2' ' HB ' ' A' 2360 ' ' VAL . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2313 ' ' ALA . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.584 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.64 106.97 1.96 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -125.21 101.76 31.3 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.34 -168.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -89.54 95.46 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.369 2.713 . . . . 1.0 111.856 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -134.18 12.4 3.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 1.0 110.267 177.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -137.29 119.7 15.85 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.061 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -69.47 153.29 95.92 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.101 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.63 90.53 0.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.76 2.307 . . . . 1.0 112.012 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 67.45 -168.16 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 1.0 111.042 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.82 -179.31 7.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.121 -0.696 . . . . 1.0 109.121 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 63.61 83.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.353 0.597 . . . . 1.0 109.844 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.89 109.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.466 -1.243 . . . . 1.0 113.121 -176.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -109.47 143.0 39.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.517 -0.919 . . . . 1.0 108.517 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 31.9 m -78.53 72.89 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.276 0.56 . . . . 1.0 110.65 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 80.5 mt -110.25 90.72 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 1.0 109.783 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 -124.34 13.33 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.333 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2342 ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.674 HG23 HD11 ' A' 2470 ' ' LEU . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.584 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.591 HG23 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.651 HG22 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2360 ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.544 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.602 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.582 ' O ' HG23 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2368 ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.612 HG13 ' HB1' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2373 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2375 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2377 ' ' GLY . . . . . 0.568 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.529 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2386 ' ' ASP . . . . . 0.568 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.458 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.513 HG21 HD22 ' A' 2438 ' ' LEU . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.62 HG21 HG21 ' A' 2356 ' ' THR . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.52 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.753 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.407 HG23 HG13 ' A' 2471 ' ' VAL . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.523 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.56 HG13 HG22 ' A' 2404 ' ' THR . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.651 HG21 HG22 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.771 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG21 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2451 ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.44 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.775 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.536 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.591 HG13 HG23 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.674 HD11 HG23 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2472 ' ' LYS . . . . . 0.404 ' HD2' ' HE3' ' A' 2476 ' ' LYS . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' 2471 ' ' VAL . 50.4 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -111.57 -27.33 8.61 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.1 86.06 0.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.41 -0.813 . . . . 1.0 111.565 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.89 15.53 28.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 1.0 110.914 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -108.46 83.33 1.76 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.999 -1.0 . . . . 1.0 110.85 -173.164 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.36 73.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.423 0.63 . . . . 1.0 109.412 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -148.29 152.06 38.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.144 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.94 12.99 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.541 2.827 . . . . 1.0 113.924 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -107.72 -71.85 0.74 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.695 0.283 . . . . 1.0 110.767 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 59.2 p 48.01 73.96 0.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.172 -0.922 . . . . 1.0 111.462 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 -81.02 132.32 57.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.597 -0.729 . . . . 1.0 109.54 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2306 ' ' GLU . . . . . 0.42 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2317 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt -101.88 151.06 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -155.32 134.42 7.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2328 ' ' PRO . . . . . 0.516 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 13.2 Cg_exo -69.43 89.74 0.49 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.387 2.058 . . . . 1.0 109.605 170.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -79.47 98.0 6.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.298 -171.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -134.08 115.01 13.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.486 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2331 ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 44.3 mtpt -68.99 156.42 91.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.345 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2332 ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 9.6 Cg_endo -53.57 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.87 3.046 . . . . 1.0 113.61 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.87 130.04 41.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 1.0 108.61 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.03 108.66 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.356 0.598 . . . . 1.0 111.179 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -132.0 116.87 17.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.279 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.7 97.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.619 -165.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 16.3 m -87.55 42.73 1.06 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.159 -171.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 32.4 mt 58.53 59.99 2.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.158 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 -79.29 -0.51 32.67 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.296 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2348 ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2351 ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2352 ' ' ILE . . . . . 0.738 HG23 HG13 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2359 ' ' LEU . . . . . 0.447 HD12 HD23 ' A' 2456 ' ' LEU . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2364 ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.559 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2368 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' 2381 ' ' ALA . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' 2379 ' ' ILE . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 23.2 m120 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.455 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.767 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.491 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.418 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2398 ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2399 ' ' MET . . . . . 0.545 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2401 ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2407 ' ' LEU . . . . . 0.648 ' HB2' HG21 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2409 ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2412 ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2413 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2418 ' ' HIS . . . . . 0.529 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.586 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.568 ' O ' HG23 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.684 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.742 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2437 ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.563 ' HB2' HG11 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.742 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2445 ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2448 ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2452 ' ' ALA . . . . . 0.559 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2454 ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.447 HD23 HD12 ' A' 2359 ' ' LEU . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2459 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2460 ' ' GLY . . . . . 0.458 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.738 HG13 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.649 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2467 ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.576 HD11 HG23 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2474 ' ' ALA . . . . . 0.462 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -139.52 -174.72 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.17 115.6 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 1.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -128.99 19.36 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.253 0.549 . . . . 1.0 109.538 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -92.68 120.5 33.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.817 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.678 -0.677 . . . . 1.0 109.776 174.631 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 38.9 mm -72.18 -32.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.688 0.756 . . . . 1.0 108.969 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.63 150.44 97.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.744 -1.117 . . . . 1.0 111.057 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.93 20.04 1.26 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.52 2.813 . . . . 1.0 112.619 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -108.94 -52.14 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.572 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.7 t 44.96 67.42 0.71 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.448 1.118 . . . . 1.0 111.164 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2300 ' ' ASP . . . . . 0.585 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 -68.53 127.72 93.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.488 -1.233 . . . . 1.0 109.593 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2303 ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2304 ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2305 ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2307 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2313 ' ' ALA . . . . . 0.43 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2319 ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2320 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2353 ' ' ALA . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2322 ' ' LYS . . . . . 0.523 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2323 ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2326 ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt -59.79 120.19 9.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2327 ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' 2327 ' ' LYS . 38.9 ttmt -133.03 128.83 20.77 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.626 -174.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.28 111.19 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.506 2.137 . . . . 1.0 111.423 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -93.33 65.74 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.946 0.403 . . . . 1.0 110.879 -175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -166.26 127.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -89.86 135.99 29.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.308 0.575 . . . . 1.0 110.18 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.08 109.64 2.87 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.904 3.069 . . . . 1.0 112.64 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2333 ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' 2336 ' ' ASP . 66.3 mttm -90.83 160.83 15.54 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.204 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.99 127.41 32.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.578 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 65.8 17.81 10.96 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.786 0.679 . . . . 1.0 111.263 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2336 ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' 2333 ' ' LYS . 36.3 t70 -95.67 49.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 1.0 109.465 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2337 ' ' GLU . . . . . 0.516 ' HB3' ' HG ' ' A' 2339 ' ' LEU . 37.4 mt-10 66.29 141.39 0.03 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.801 -1.091 . . . . 1.0 112.431 -175.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 14.6 m -92.49 44.29 1.15 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.525 -0.761 . . . . 1.0 109.954 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2339 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 2337 ' ' GLU . 86.1 mt -75.8 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.833 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2340 ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 -111.02 10.75 22.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.318 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2341 ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2343 ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2344 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2345 ' ' ILE . . . . . 0.579 HG23 HD11 ' A' 2470 ' ' LEU . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2346 ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2347 ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2350 ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2353 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2320 ' ' ALA . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2356 ' ' THR . . . . . 0.438 HG21 HG21 ' A' 2404 ' ' THR . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2360 ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2363 ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2365 ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2366 ' ' ALA . . . . . 0.566 ' O ' HD22 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2367 ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2369 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2370 ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2371 ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2378 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2379 ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2381 ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2389 ' ' TRP . . . . . 0.464 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2390 ' ' SER . . . . . 0.479 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2394 ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2397 ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2400 ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2404 ' ' THR . . . . . 0.561 HG22 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2405 ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' 2408 ' ' CYS . 43.7 t30 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2408 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2411 ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 5.1 t30 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2415 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2420 ' ' SER . . . . . 0.681 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2423 ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2425 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2429 ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2431 ' ' VAL . . . . . 0.561 HG13 HG22 ' A' 2404 ' ' THR . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2434 ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2435 ' ' THR . . . . . 0.679 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2436 ' ' ALA . . . . . 0.782 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2437 ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2438 ' ' LEU . . . . . 0.631 ' HB2' HG11 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2439 ' ' LEU . . . . . 0.782 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2440 ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2443 ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2444 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2446 ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2447 ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2450 ' ' SER . . . . . 0.626 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2453 ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2456 ' ' LEU . . . . . 0.533 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2457 ' ' GLN . . . . . 0.581 ' HA ' HD23 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2463 ' ' VAL . . . . . 0.436 HG21 HG21 ' A' 2435 ' ' THR . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2470 ' ' LEU . . . . . 0.579 HD11 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2471 ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2473 ' ' ALA . . . . . 0.736 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2475 ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2476 ' ' LYS . . . . . 0.736 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2478 ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' 2480 ' ' PHE . . . -149.67 176.79 10.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -114.8 110.25 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 1.0 110.167 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2480 ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' 2478 ' ' ALA . 91.7 m-85 -110.17 23.82 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.92 59.95 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.568 0.699 . . . . 1.0 110.848 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.084 -178.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' 2303 ' ' VAL . 11.4 m-20 . . . . . 0 N--CA 1.456 -0.173 0 N-CA-C 110.158 -0.312 . . . . 1.0 110.158 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.513 HG23 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.539 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.498 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.452 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.421 HD22 HE21 ' A' 2416 ' ' GLN . 85.6 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 . . . . . 0 CA--C 1.516 -0.355 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' 2342 ' ' GLU . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.428 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.428 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.602 ' O ' HG23 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . 0.498 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.797 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.797 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.406 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' 2381 ' ' ALA . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.444 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.461 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.777 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.51 HD22 HG21 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.421 HE21 HD22 ' A' 2326 ' ' LEU . 85.0 mm-40 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . 0.401 ' HB3' ' HB1' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.777 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.488 ' HB1' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.422 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.572 HG21 HG21 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' 2446 ' ' ALA . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.599 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.601 ' HA ' HD23 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.572 HG21 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.488 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.405 ' O ' HG23 ' A' 2471 ' ' VAL . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.555 HD11 HG23 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.557 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2380 ' ' PRO . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.602 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.5 t-20 . . . . . 0 CA--C 1.516 -0.345 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' 2345 ' ' ILE . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.522 HG23 HD11 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.47 HD22 HG22 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.496 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.7 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.452 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2384 ' ' LEU . 25.9 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.435 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.533 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.5 HG22 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.495 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.403 HG23 HG13 ' A' 2471 ' ' VAL . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.536 ' O ' HG23 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.749 ' HA ' HG22 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.748 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.7 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.526 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.441 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.71 HG21 HG21 ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.441 ' O ' ' HD3' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.522 HD11 HG23 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.474 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 108.69 -0.856 . . . . 1.0 108.69 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.511 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 . . . . . 0 CA--C 1.518 -0.262 0 CA-C-O 120.958 0.408 . . . . 1.0 110.133 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.504 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.511 HG23 HD11 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.605 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.605 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2404 ' ' THR . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.507 HD11 HD23 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.511 ' HG ' HG13 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.511 HG13 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.567 ' H ' HG22 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . 0.739 ' H ' HD13 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.472 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2356 ' ' THR . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.71 HE21 ' HA ' ' A' 2475 ' ' GLN . 51.6 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' 2471 ' ' VAL . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.546 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.519 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' 2434 ' ' SER . 7.9 tp-100 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.541 ' HB2' HG11 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.593 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.519 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.511 HD11 HG23 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.71 ' HA ' HE21 ' A' 2421 ' ' GLN . 66.8 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.317 0.103 . . . . 1.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 2319 ' ' ALA . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' 2343 ' ' GLU . 3.7 p-10 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 121.255 0.55 . . . . 1.0 110.341 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.518 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.553 HG23 HD11 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2404 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.561 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.414 HG11 ' CZ3' ' A' 2389 ' ' TRP . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.616 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . 0.536 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.759 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.414 ' CZ3' HG11 ' A' 2376 ' ' VAL . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 2398 ' ' ARG . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' 2435 ' ' THR . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . 0.401 ' HA ' ' ND2' ' A' 2406 ' ' ASN . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2356 ' ' THR . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 2403 ' ' ALA . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . 0.592 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.588 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.494 HG23 HG13 ' A' 2471 ' ' VAL . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.598 ' HA ' HG12 ' A' 2400 ' ' VAL . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.724 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.594 ' HB2' HG11 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.758 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.758 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.65 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD23 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.533 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.553 HD11 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.518 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 2471 ' ' VAL . 76.8 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.551 ' HB3' ' HZ3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.462 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 . . . . . 0 C--O 1.23 0.065 0 N-CA-C 109.563 -0.532 . . . . 1.0 109.563 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.659 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' 2307 ' ' ASN . 0.9 OUTLIER -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.497 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt . . . . . 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 . . . . . 0 CA--C 1.517 -0.327 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.62 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.474 ' HB2' HG21 ' A' 2415 ' ' VAL . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2404 ' ' THR . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.499 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.499 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.548 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.659 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.427 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.424 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.569 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2356 ' ' THR . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.546 HD22 HG21 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.719 HG23 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.563 ' O ' HG23 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.426 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' 2448 ' ' GLN . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.716 ' HA ' HD23 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.599 HD11 HG23 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.719 HG13 HG23 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.78 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 . . . . . 0 C--O 1.233 0.225 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.632 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.632 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.479 HD11 HD22 ' A' 2412 ' ' ASN . 96.7 mt . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' 2347 ' ' GLU . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.531 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.485 HD12 HD23 ' A' 2456 ' ' LEU . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.561 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' 2371 ' ' VAL . 35.5 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' 2445 ' ' LYS . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' 2381 ' ' ALA . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.43 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.598 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.606 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 2398 ' ' ARG . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.666 HG22 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.639 HD22 HG21 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.515 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.479 HD22 HD11 ' A' 2326 ' ' LEU . 23.2 t-20 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.437 ' NE2' ' H ' ' A' 2421 ' ' GLN . 1.6 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.413 HG23 HG13 ' A' 2471 ' ' VAL . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.535 ' O ' HG23 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.666 HG13 HG22 ' A' 2404 ' ' THR . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.801 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.592 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.631 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' 2370 ' ' LEU . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . 0.402 ' HG2' ' NH2' ' A' 2455 ' ' ARG . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.561 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.485 HD23 HD12 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.456 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.801 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.515 HD11 HG23 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 . . . . . 0 C--O 1.233 0.218 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.443 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' 2300 ' ' ASP . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.755 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 . . . . . 0 CA--C 1.52 -0.21 0 N-CA-C 109.882 -0.414 . . . . 1.0 109.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.43 HD13 HD23 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2404 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' 2376 ' ' VAL . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.432 HG13 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 2370 ' ' LEU . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.432 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' 2381 ' ' ALA . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.576 ' H ' HG22 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.755 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.631 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2356 ' ' THR . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.527 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.785 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.406 ' H ' ' CD ' ' A' 2421 ' ' GLN . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.785 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . 0.419 HD21 HD12 ' A' 2345 ' ' ILE . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.513 ' O ' HG23 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.554 HG13 HG22 ' A' 2404 ' ' THR . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.484 ' HB2' HG11 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' 2448 ' ' GLN . 17.8 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.619 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.615 HD23 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.65 ' HA ' HD23 ' A' 2439 ' ' LEU . 8.9 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.569 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . 0.66 ' HA ' HE21 ' A' 2475 ' ' GLN . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.473 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.66 HE21 ' HA ' ' A' 2472 ' ' LYS . 45.4 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.439 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 121.575 0.703 . . . . 1.0 109.612 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' 2347 ' ' GLU . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' 2340 ' ' ASN . 16.7 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.633 HG23 HD11 ' A' 2470 ' ' LEU . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2404 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . 0.439 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.447 ' HA ' HD12 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' 2371 ' ' VAL . 39.6 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.565 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.623 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.574 HG21 HD22 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2356 ' ' THR . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2401 ' ' ALA . 11.3 t-20 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.654 HG13 HG22 ' A' 2404 ' ' THR . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.649 HG21 HG22 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.574 HD22 HG21 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.529 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.724 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.469 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.695 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . 0.602 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.633 HD11 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 . . . . . 0 C--O 1.237 0.409 0 N-CA-C 109.23 -0.655 . . . . 1.0 109.23 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.407 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 2323 ' ' LEU . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 . . . . . 0 N--CA 1.465 0.324 0 CA-C-O 121.178 0.513 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.522 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.595 HG23 HD21 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.59 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.59 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.536 HG23 HG13 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.541 ' HG ' HG13 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' 2370 ' ' LEU . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.492 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' 2381 ' ' ALA . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.492 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' 2391 ' ' GLN . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' 2435 ' ' THR . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' 2407 ' ' LEU . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.573 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.686 HG13 HG22 ' A' 2404 ' ' THR . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.564 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.729 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.596 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.596 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.624 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.536 HG13 HG23 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.564 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.595 HD21 HG23 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.522 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.0 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 C--O 1.233 0.21 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.769 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.093 0.473 . . . . 1.0 110.025 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.557 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.615 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' 2352 ' ' ILE . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.461 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' 2435 ' ' THR . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.517 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.613 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.483 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' 2379 ' ' ILE . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . 0.407 ' HA ' HE21 ' A' 2388 ' ' GLN . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' 2385 ' ' ASP . 47.9 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.546 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2356 ' ' THR . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.593 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' 2416 ' ' GLN . 26.2 t-20 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.565 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.502 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.466 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.607 HG13 HG22 ' A' 2404 ' ' THR . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.558 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.54 HD22 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.591 HD21 ' HA3' ' A' 2460 ' ' GLY . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' 2453 ' ' MET . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.748 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.538 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.748 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.548 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.489 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.615 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.497 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 . . . . . 0 CA--C 1.523 -0.075 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.526 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 4.8 p30 -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' 2357 ' ' SER . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.486 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' 2344 ' ' GLN . 3.6 t-20 . . . . . 0 C--O 1.227 -0.104 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.564 HG23 HD11 ' A' 2470 ' ' LEU . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.668 HG23 HG13 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2404 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' 2309 ' ' LEU . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.526 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.416 ' O ' HD23 ' A' 2370 ' ' LEU . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.789 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.682 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.581 ' HB2' HD12 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.901 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.682 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . 0.489 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.901 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.681 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.709 HG12 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' 2431 ' ' VAL . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2356 ' ' THR . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.588 ' HB2' HG21 ' A' 2431 ' ' VAL . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.631 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.709 ' HA ' HG12 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' 2453 ' ' MET . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.789 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.401 ' HB3' ' O ' ' A' 2450 ' ' SER . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.525 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.668 HG13 HG23 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.512 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.401 ' O ' HG23 ' A' 2471 ' ' VAL . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.564 HD11 HG23 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.536 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.546 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.496 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.528 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' 2310 ' ' LEU . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' 2306 ' ' GLU . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 2313 ' ' ALA . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.574 HD13 HD12 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.574 HD12 HD13 ' A' 2323 ' ' LEU . 87.2 mt . . . . . 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.516 -0.342 0 CA-C-O 121.932 0.872 . . . . 1.0 108.953 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 2344 ' ' GLN . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.545 HG23 HD21 ' A' 2470 ' ' LEU . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.601 HG23 HG13 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.686 HG22 HG21 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.445 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . 0.541 ' HA ' HG12 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 2366 ' ' ALA . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' 2445 ' ' LYS . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' 2381 ' ' ALA . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.508 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . 0.491 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.445 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.672 HG21 HG21 ' A' 2356 ' ' THR . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.573 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . 0.522 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.545 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.686 HG21 HG22 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.55 ' HB2' HG11 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.42 ' HA ' HD22 ' A' 2370 ' ' LEU . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.587 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.669 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.601 HG13 HG23 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.413 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.545 HD21 HG23 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 C--O 1.232 0.163 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.489 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' 2350 ' ' LYS . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 2320 ' ' ALA . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 14.4 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 120.69 0.281 . . . . 1.0 110.604 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.616 HG23 HD11 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.545 HG23 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2404 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.519 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.537 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.541 HG23 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.613 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.729 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.552 ' CG ' ' HD2' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2356 ' ' THR . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.592 ' O ' ' HB3' ' A' 2408 ' ' CYS . 21.9 t-20 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' 2406 ' ' ASN . 0.9 OUTLIER -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.447 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.447 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.578 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.6 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.6 HG21 ' HB2' ' A' 2407 ' ' LEU . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.754 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.667 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.572 ' HB2' HG11 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.729 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.565 ' HA ' HD23 ' A' 2439 ' ' LEU . 9.3 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.455 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.545 HG13 HG23 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.754 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.616 HD11 HG23 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' 2421 ' ' GLN . . . . . . . . 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' 2304 ' ' ILE . 9.2 m-20 . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.491 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' 2320 ' ' ALA . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.429 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.441 HG21 HG21 ' A' 2404 ' ' THR . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.444 HD11 HD23 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' 2381 ' ' ALA . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.526 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' 2387 ' ' GLY . 8.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.56 HG22 HG13 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.608 ' HB2' HG21 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.728 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.646 HG23 HG13 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.76 ' HA ' HG22 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.424 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.625 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 2439 ' ' LEU . 9.6 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.646 HG13 HG23 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.429 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' 2310 ' ' LEU . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' 2306 ' ' GLU . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.505 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.553 ' NZ ' ' HB2' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.515 -0.366 0 CA-C-O 121.322 0.582 . . . . 1.0 109.63 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.558 HG23 HD11 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2404 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' 2435 ' ' THR . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 2368 ' ' ARG . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.74 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.666 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' 2365 ' ' ALA . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.698 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2356 ' ' THR . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.425 HE22 ' HZ ' ' A' 2341 ' ' PHE . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.464 HG23 HG13 ' A' 2471 ' ' VAL . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.572 HG13 HG22 ' A' 2404 ' ' THR . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.59 HG21 HG22 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.701 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.564 ' HB2' HG11 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.464 ' HB3' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.416 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 2455 ' ' ARG . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.558 HD11 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.476 ' O ' HG13 ' A' 2304 ' ' ILE . 16.6 t70 . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . 0.508 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' 2300 ' ' ASP . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.544 HD21 HD22 ' A' 2412 ' ' ASN . 60.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.0 t-20 . . . . . 0 N--CA 1.458 -0.039 0 CA-C-O 121.678 0.752 . . . . 1.0 109.553 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.568 HG23 HD11 ' A' 2470 ' ' LEU . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.79 HG23 HG13 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2404 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.417 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.468 ' HB3' HG13 ' A' 2376 ' ' VAL . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' 2370 ' ' LEU . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.508 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' 2381 ' ' ALA . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.563 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.414 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.626 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2356 ' ' THR . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' 2406 ' ' ASN . 0.9 OUTLIER -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.66 HD21 HD12 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.544 HD22 HD21 ' A' 2326 ' ' LEU . 21.7 t-20 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.487 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.581 ' O ' HG23 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.746 ' HA ' HG12 ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.711 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.602 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.417 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.549 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.64 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.634 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.79 HG13 HG23 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.568 HD11 HG23 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . 0.76 ' HA ' HE21 ' A' 2475 ' ' GLN . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.524 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.76 HE21 ' HA ' ' A' 2472 ' ' LYS . 42.6 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.467 ' O ' HG13 ' A' 2304 ' ' ILE . 10.9 t70 . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 120.526 0.203 . . . . 1.0 110.699 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . 0.406 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.708 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . 0.46 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt . . . . . 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 . . . . . 0 CA--C 1.516 -0.341 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.447 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.68 HG23 HD11 ' A' 2470 ' ' LEU . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.69 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2343 ' ' GLU . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.69 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.584 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 2370 ' ' LEU . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.572 HG13 ' HB1' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.572 ' HB1' HG13 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.584 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.401 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.565 ' O ' HG13 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' A' 2399 ' ' MET . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.614 HG21 HD22 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.662 HG22 HG13 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.495 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . 0.41 HD21 HD12 ' A' 2345 ' ' ILE . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.565 HG23 HG13 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG23 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.662 HG13 HG22 ' A' 2404 ' ' THR . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.582 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.614 HD22 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.482 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.665 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . 0.426 ' HA ' ' HE3' ' A' 2454 ' ' LYS . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' 2451 ' ' GLU . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.68 HD11 HG23 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.565 HG13 HG23 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.51 HE21 HG12 ' A' 2471 ' ' VAL . 67.7 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 . . . . . 0 C--O 1.232 0.157 0 N-CA-C 109.786 -0.45 . . . . 1.0 109.786 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.544 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . 0.458 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.403 ' HB2' ' HB ' ' A' 2360 ' ' VAL . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2313 ' ' ALA . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.584 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.517 HD21 ' ND2' ' A' 2412 ' ' ASN . 99.1 mt . . . . . 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.693 0.282 . . . . 1.0 110.333 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.674 HG23 HD11 ' A' 2470 ' ' LEU . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.584 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.591 HG23 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.651 HG22 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.544 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.602 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.582 ' O ' HG23 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.612 HG13 ' HB1' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . 0.568 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.529 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . 0.568 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.458 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.513 HG21 HD22 ' A' 2438 ' ' LEU . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.62 HG21 HG21 ' A' 2356 ' ' THR . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.52 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.517 ' ND2' HD21 ' A' 2326 ' ' LEU . 3.3 t-20 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.753 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.407 HG23 HG13 ' A' 2471 ' ' VAL . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.523 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.56 HG13 HG22 ' A' 2404 ' ' THR . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.651 HG21 HG22 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.771 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG21 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.44 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.775 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.536 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.591 HG13 HG23 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.674 HD11 HG23 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . 0.624 ' HA ' HE21 ' A' 2475 ' ' GLN . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' 2472 ' ' LYS . 48.2 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 109.54 -0.541 . . . . 1.0 109.54 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . 0.42 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 . . . . . 0 CA--C 1.509 -0.612 0 CA-C-O 121.053 0.454 . . . . 1.0 110.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . 0.738 HG23 HG13 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . 0.447 HD12 HD23 ' A' 2456 ' ' LEU . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.559 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' 2381 ' ' ALA . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' 2379 ' ' ILE . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.455 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.767 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.491 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.418 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . 0.545 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 11.8 m120 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . 0.648 ' HB2' HG21 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . 0.529 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.586 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' 2421 ' ' GLN . 1.6 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.568 ' O ' HG23 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.684 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.742 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.563 ' HB2' HG11 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.742 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . 0.559 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.447 HD23 HD12 ' A' 2359 ' ' LEU . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . 0.458 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.738 HG13 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.649 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.576 HD11 HG23 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . 0.462 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 2300 ' ' ASP . . . . . 0.585 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2303 ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2304 ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2305 ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2307 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2313 ' ' ALA . . . . . 0.43 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2319 ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2320 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2353 ' ' ALA . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2322 ' ' LYS . . . . . 0.523 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2323 ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2326 ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt . . . . . 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2340 ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 . . . . . 0 CA--C 1.516 -0.364 0 N-CA-C 109.318 -0.623 . . . . 1.0 109.318 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2341 ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2343 ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2344 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2345 ' ' ILE . . . . . 0.579 HG23 HD11 ' A' 2470 ' ' LEU . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2346 ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2347 ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2350 ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2353 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2320 ' ' ALA . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2356 ' ' THR . . . . . 0.438 HG21 HG21 ' A' 2404 ' ' THR . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2360 ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2363 ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2364 ' ' SER . . . . . . . . . . . . . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2365 ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2366 ' ' ALA . . . . . 0.566 ' O ' HD22 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2367 ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2369 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2370 ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2371 ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2378 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2379 ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2381 ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2389 ' ' TRP . . . . . 0.464 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2390 ' ' SER . . . . . 0.479 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2394 ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2397 ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2400 ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2404 ' ' THR . . . . . 0.561 HG22 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2405 ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' 2408 ' ' CYS . 4.0 t-20 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2408 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2411 ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2412 ' ' ASN . . . . . 0.466 HD22 HD21 ' A' 2326 ' ' LEU . 18.8 t-20 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2415 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2420 ' ' SER . . . . . 0.681 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2423 ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2425 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2429 ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2431 ' ' VAL . . . . . 0.561 HG13 HG22 ' A' 2404 ' ' THR . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2434 ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2435 ' ' THR . . . . . 0.679 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2436 ' ' ALA . . . . . 0.782 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2437 ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2438 ' ' LEU . . . . . 0.631 ' HB2' HG11 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2439 ' ' LEU . . . . . 0.782 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2440 ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2443 ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2444 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2446 ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2447 ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2448 ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' 2448 ' ' GLN . 2.4 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2450 ' ' SER . . . . . 0.626 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2453 ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2456 ' ' LEU . . . . . 0.533 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2457 ' ' GLN . . . . . 0.581 ' HA ' HD23 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2463 ' ' VAL . . . . . 0.436 HG21 HG21 ' A' 2435 ' ' THR . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2470 ' ' LEU . . . . . 0.579 HD11 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2471 ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2473 ' ' ALA . . . . . 0.736 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2475 ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2476 ' ' LYS . . . . . 0.736 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.362 -0.695 . . . . 1.0 111.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 10.4 tt -84.4 82.21 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.85 0.833 . . . . 1.0 110.227 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -103.13 145.14 30.03 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.818 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.456 ' HG2' ' CD2' ' A' 2298 ' ' PHE . 72.4 Cg_endo -74.95 6.04 3.61 Favored 'Trans proline' 0 C--N 1.331 -0.386 0 C-N-CA 123.567 2.845 . . . . 1.0 113.615 -172.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' 2297 ' ' PRO . 89.0 m-85 -130.15 -2.32 4.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -176.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 19.6 p 44.91 60.39 2.97 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.434 0.635 . . . . 1.0 110.979 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' 2303 ' ' VAL . 11.4 m-20 -59.41 139.02 88.96 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 114.957 -1.02 . . . . 1.0 110.158 -176.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.492 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 12.1 Cg_endo -56.16 -33.7 91.12 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 123.061 2.507 . . . . 1.0 112.777 -174.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -67.48 -33.49 75.21 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.915 179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.513 HG23 ' HB2' ' A' 2300 ' ' ASP . 23.9 t -74.66 -32.32 28.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.898 -0.592 . . . . 1.0 109.532 177.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' 2300 ' ' ASP . 27.6 mm -60.3 -38.89 79.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.626 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.539 ' HB2' ' OG ' ' A' 2390 ' ' SER . . . -64.7 -40.33 95.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.283 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.498 ' OE2' ' HD3' ' A' 2368 ' ' ARG . 42.1 tt0 -55.1 -44.1 74.59 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.812 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -61.9 -40.85 96.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.122 0.487 . . . . 1.0 110.119 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -67.18 -36.78 82.5 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.781 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 2305 ' ' ALA . 85.8 mt -66.83 -41.38 87.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.701 178.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.52 -39.78 94.63 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.682 0.277 . . . . 1.0 110.471 174.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -61.59 -42.49 99.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.827 -0.701 . . . . 1.0 111.797 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -65.24 -43.28 91.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.838 0.351 . . . . 1.0 110.534 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.38 -48.38 79.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.839 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.85 -40.19 79.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.993 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.48 -43.44 90.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.925 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.7 mt -66.57 -43.91 90.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.829 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.42 -27.72 68.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.594 -0.275 . . . . 1.0 111.489 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -70.54 -39.97 73.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.774 0.321 . . . . 1.0 110.35 176.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.4 -39.9 89.31 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.612 -0.514 . . . . 1.0 109.612 174.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.452 ' CB ' ' HB1' ' A' 2353 ' ' ALA . . . -60.25 -34.46 73.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.982 175.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.2 ttpp -68.47 -47.81 66.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.785 . . . . 1.0 109.812 178.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -60.36 -34.24 73.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.447 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' 2320 ' ' ALA . 32.5 mt -59.36 -37.88 79.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.302 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -76.31 -18.1 59.11 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.012 0.434 . . . . 1.0 110.908 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' 2321 ' ' LYS . 24.6 mt-30 -85.73 2.57 44.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.829 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.421 HD22 HE21 ' A' 2416 ' ' GLN . 85.6 mt -89.49 116.58 27.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.979 0.418 . . . . 1.0 110.994 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 53.5 tptt -92.65 118.4 67.96 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.808 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.478 ' HG3' HD22 ' A' 2346 ' ' LEU . 17.3 Cg_exo -67.44 166.38 23.9 Favored 'Trans proline' 0 C--O 1.235 0.335 0 C-N-CA 122.858 2.372 . . . . 1.0 112.533 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.578 ' HD2' ' HA2' ' A' 2417 ' ' GLY . 78.1 mtp180 -78.65 67.9 4.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.108 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -123.14 110.59 15.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.682 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mttm -132.74 148.12 68.24 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.972 176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.69 63.91 4.77 Favored 'Trans proline' 0 C--N 1.334 -0.205 0 C-N-CA 123.435 2.757 . . . . 1.0 111.926 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.457 ' HB3' ' NZ ' ' A' 2333 ' ' LYS . 9.3 mtpm? -124.75 -174.82 3.12 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.46 -178.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' 2334 ' ' GLU . 0.2 OUTLIER -81.03 78.31 7.86 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.054 -179.717 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.33 65.95 1.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.64 -179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -85.38 90.93 8.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.639 177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -135.9 172.92 12.31 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.562 -0.745 . . . . 1.0 109.426 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.4 m -90.47 28.22 1.53 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.706 0.765 . . . . 1.0 109.755 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 94.8 mt -109.34 67.92 0.66 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.119 -0.946 . . . . 1.0 111.749 -171.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 14.2 m120 -99.54 29.56 4.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.032 -1.099 . . . . 1.0 108.032 169.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.586 ' O ' HG12 ' A' 2345 ' ' ILE . 53.2 t80 -51.45 -51.16 57.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.169 -1.378 . . . . 1.0 111.209 -177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.461 ' OE1' ' HB2' ' A' 2329 ' ' ARG . 4.3 mp0 -53.33 -41.93 66.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.157 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' 2347 ' ' GLU . 26.4 mt-10 -72.14 -43.15 65.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.371 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -63.07 -29.77 71.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.028 0.442 . . . . 1.0 110.738 178.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.586 HG12 ' O ' ' A' 2341 ' ' PHE . 26.3 mm -78.79 -41.14 23.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.186 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.478 HD22 ' HG3' ' A' 2328 ' ' PRO . 43.5 tp -55.74 -52.15 64.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.9 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.8 pt-20 -58.4 -49.09 78.51 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.83 0.348 . . . . 1.0 111.584 178.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -70.1 -34.05 72.63 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.473 -0.33 . . . . 1.0 111.054 -174.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -59.87 -39.96 87.05 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.802 -0.444 . . . . 1.0 109.802 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.428 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.4 mttt -72.09 -36.16 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.762 -0.653 . . . . 1.0 110.79 177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.2 p -62.42 -39.98 95.07 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.973 0.416 . . . . 1.0 109.948 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.436 HD13 ' CD2' ' A' 2407 ' ' LEU . 55.4 mt -68.1 -51.71 46.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.572 173.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.452 ' HB1' ' CB ' ' A' 2320 ' ' ALA . . . -52.97 -44.29 67.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.478 0.486 . . . . 1.0 112.118 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.85 73.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.951 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.42 -40.67 66.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.501 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 20.1 p -65.24 -46.06 82.11 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 121.265 0.555 . . . . 1.0 110.814 -178.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 23.1 m -62.14 -38.77 90.22 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.529 -0.76 . . . . 1.0 110.383 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.55 -33.66 75.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.928 0.394 . . . . 1.0 110.457 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.462 ' CD1' HD23 ' A' 2438 ' ' LEU . 3.1 tm? -66.68 -51.13 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.733 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.3 p -64.22 -33.38 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.782 0.325 . . . . 1.0 110.857 -178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 63.0 mttm -71.11 -30.33 66.39 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.042 0.448 . . . . 1.0 110.365 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -76.14 -35.25 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.708 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.26 82.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 1.0 109.921 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -57.5 -40.07 77.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.394 -0.821 . . . . 1.0 110.523 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -63.93 -54.16 38.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.887 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.26 -45.12 84.31 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.162 0.506 . . . . 1.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.602 ' O ' HG23 ' A' 2371 ' ' VAL . 1.7 tt0 -61.17 -47.83 84.36 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.832 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . 0.498 ' HD3' ' OE2' ' A' 2306 ' ' GLU . 36.8 ttp180 -60.75 -36.41 78.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 1.0 111.449 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' 2365 ' ' ALA . 19.3 mm-40 -59.18 -42.21 90.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.146 0.498 . . . . 1.0 110.513 177.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.797 ' HB3' ' HB ' ' A' 2376 ' ' VAL . 96.0 mt -67.55 -34.76 77.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.598 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2367 ' ' GLN . 45.6 t -65.82 -49.49 76.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.509 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.89 88.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.655 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -80.1 -22.24 42.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.176 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 71.04 47.29 38.79 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.835 -0.698 . . . . 1.0 111.634 -176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -121.96 10.99 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.717 0.294 . . . . 1.0 111.331 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.797 ' HB ' ' HB3' ' A' 2370 ' ' LEU . 7.4 p -114.92 -30.1 2.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.327 0.584 . . . . 1.0 112.396 -176.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 116.73 32.72 1.53 Allowed Glycine 0 C--N 1.306 -1.137 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.125 -172.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.406 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . -78.78 45.13 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.974 0.416 . . . . 1.0 111.241 -175.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.444 HG22 ' H ' ' A' 2381 ' ' ALA . 33.5 mm -138.45 121.84 11.17 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 108.585 -0.894 . . . . 1.0 108.585 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.574 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 89.3 Cg_exo -44.9 -35.3 9.76 Favored 'Trans proline' 0 CA--C 1.536 0.615 0 C-N-CA 123.248 2.632 . . . . 1.0 113.738 177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.444 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.8 -13.84 62.46 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -128.51 23.38 5.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.459 0.647 . . . . 1.0 109.628 176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.574 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -71.81 -17.84 62.13 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 115.124 -0.944 . . . . 1.0 111.46 -176.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.1 tm? -55.25 -40.67 71.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.593 -0.521 . . . . 1.0 109.593 176.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.16 -52.63 7.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.339 -0.392 . . . . 1.0 111.162 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -70.69 -34.35 71.89 Favored 'General case' 0 C--O 1.221 -0.43 0 N-CA-C 111.913 0.338 . . . . 1.0 111.913 -175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -56.67 -31.72 60.85 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.169 -0.538 . . . . 1.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -81.51 -25.29 36.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 110.133 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.461 ' CZ3' HG21 ' A' 2376 ' ' VAL . 55.0 t90 -78.72 -43.51 25.65 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.299 -0.63 . . . . 1.0 109.299 173.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.539 ' OG ' ' HB2' ' A' 2305 ' ' ALA . 47.0 t -56.99 -57.44 12.52 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.207 -0.906 . . . . 1.0 110.434 176.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -62.09 -33.72 74.97 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.581 0.229 . . . . 1.0 111.07 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.06 -46.23 91.78 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.678 -0.772 . . . . 1.0 111.713 176.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 35.1 tp -64.72 -44.28 90.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.123 0.487 . . . . 1.0 110.136 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' 2305 ' ' ALA . 71.5 mt -60.56 -49.38 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 1.0 111.705 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 28.7 p -63.84 -40.66 97.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.8 0.333 . . . . 1.0 110.68 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.61 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.5 -37.8 88.68 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.673 177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.443 ' O ' HG22 ' A' 2400 ' ' VAL . . . -63.43 -41.23 98.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.042 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.98 -27.3 66.46 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.205 0.526 . . . . 1.0 110.271 176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.442 ' HB3' ' O ' ' A' 2396 ' ' ALA . 25.2 ttt -68.19 -48.04 66.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.161 176.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 2396 ' ' ALA . 1.9 m -68.3 -36.03 73.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.99 95.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.629 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -68.86 -46.38 68.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.87 -0.332 . . . . 1.0 110.526 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.44 -52.26 66.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.996 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.777 HG22 HG13 ' A' 2431 ' ' VAL . 75.7 p -65.49 -28.74 69.42 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.068 0.461 . . . . 1.0 110.581 -178.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' 2408 ' ' CYS . 11.8 t30 -73.22 -40.4 64.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -66.16 -35.1 79.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.256 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.51 HD22 HG21 ' A' 2431 ' ' VAL . 28.7 tp -66.26 -35.07 79.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.01 176.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.427 ' HB3' ' O ' ' A' 2405 ' ' ASN . 43.3 t -61.04 -38.02 84.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.112 175.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.26 -38.3 68.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.025 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.72 87.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.121 0.486 . . . . 1.0 110.358 177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.602 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.11 -37.5 87.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.554 175.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 8.0 t30 -55.08 -41.45 71.54 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.902 -0.59 . . . . 1.0 110.685 178.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . 0.401 ' HB1' ' HB3' ' A' 2418 ' ' HIS . . . -67.71 -45.5 74.91 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.776 177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.1 83.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.792 -0.64 . . . . 1.0 112.042 -175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' 2411 ' ' ALA . 24.0 t -63.45 -31.58 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-O 121.207 0.527 . . . . 1.0 111.329 -177.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.421 HE21 HD22 ' A' 2326 ' ' LEU . 85.0 mm-40 -88.73 -13.67 39.05 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.237 -172.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . 0.578 ' HA2' ' HD2' ' A' 2329 ' ' ARG . . . 131.67 -30.12 3.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.099 -1.048 . . . . 1.0 113.454 177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . 0.401 ' HB3' ' HB1' ' A' 2413 ' ' ALA . 26.0 t-80 -78.35 76.48 4.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.215 0.531 . . . . 1.0 109.973 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -70.91 110.99 5.97 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.751 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 66.4 m -123.45 91.28 3.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -65.5 -36.37 83.66 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.484 -0.78 . . . . 1.0 110.544 -173.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -61.73 -54.45 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.65 -48.88 78.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.723 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 25.9 tp -62.22 -52.13 65.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.252 -174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.472 HG12 ' HA ' ' A' 2471 ' ' VAL . 28.4 mt -65.22 -45.66 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.655 -0.248 . . . . 1.0 111.483 -178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.7 m -59.9 -45.82 91.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.715 0.293 . . . . 1.0 110.797 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.547 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -67.78 -33.89 75.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.016 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.84 89.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.221 0.534 . . . . 1.0 110.374 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.4 -32.44 72.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.078 178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -72.24 -40.54 67.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.505 176.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.777 HG13 HG22 ' A' 2404 ' ' THR . 54.7 t -59.28 -55.44 23.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.312 176.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.488 ' HB1' ' CD ' ' A' 2464 ' ' LYS . . . -56.48 -45.4 80.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.603 -0.726 . . . . 1.0 111.258 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.55 -48.09 67.97 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 121.134 -0.227 . . . . 1.0 111.336 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.422 ' HB3' ' HG2' ' A' 2399 ' ' MET . 20.0 m -64.96 -48.23 74.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.738 0.304 . . . . 1.0 110.602 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.572 HG21 HG21 ' A' 2463 ' ' VAL . 18.4 m -67.74 -43.59 79.57 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.18 -0.463 . . . . 1.0 111.302 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.754 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.67 -24.08 65.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.047 0.451 . . . . 1.0 110.503 -178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -75.7 -24.79 56.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.311 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.526 ' HB2' HG11 ' A' 2400 ' ' VAL . 31.4 tp -62.68 -29.02 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.267 -0.642 . . . . 1.0 109.267 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.754 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -69.67 -38.01 76.9 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.628 173.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 57.5 t -61.44 -34.46 61.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.158 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -68.09 -35.92 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.85 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . 0.508 ' O ' ' HB3' ' A' 2446 ' ' ALA . 58.7 m -75.91 -26.24 56.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.968 178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -62.84 -18.89 63.51 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.248 0.547 . . . . 1.0 110.607 173.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.536 ' O ' ' HB2' ' A' 2445 ' ' LYS . 40.5 t -87.23 131.52 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.952 0 N-CA-C 108.626 -0.879 . . . . 1.0 108.626 174.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.616 ' HG2' HG23 ' A' 2376 ' ' VAL . 5.8 mptp? 80.14 -44.48 0.27 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.993 0.917 . . . . 1.0 112.025 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' 2442 ' ' CYS . . . -87.18 156.7 19.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.085 0.469 . . . . 1.0 111.82 -175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -93.79 142.83 26.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.126 174.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -74.78 -29.87 61.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.701 -0.681 . . . . 1.0 112.036 -169.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -84.9 1.51 46.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.891 0.33 . . . . 1.0 111.891 -174.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.61 147.33 53.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.225 -0.287 . . . . 1.0 110.225 173.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -69.12 -35.31 76.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.696 0.284 . . . . 1.0 111.01 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -62.04 -34.77 76.85 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.084 0.468 . . . . 1.0 110.253 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -29.28 34.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.715 -0.675 . . . . 1.0 109.462 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -61.26 -45.31 95.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.521 -0.763 . . . . 1.0 109.922 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 6.2 tpp180 -68.66 -38.7 80.63 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.275 -0.875 . . . . 1.0 109.875 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.599 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.4 tt -59.49 -53.99 51.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.053 -0.976 . . . . 1.0 110.285 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.601 ' HA ' HD23 ' A' 2439 ' ' LEU . 24.2 tp60 -58.28 -44.76 88.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.595 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.04 -39.09 89.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.535 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' 2463 ' ' VAL . . . -65.96 -44.9 83.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.936 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.561 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.09 -36.79 93.7 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 121.074 -0.584 . . . . 1.0 112.363 178.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -63.37 -42.58 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.348 0.594 . . . . 1.0 109.533 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.03 73.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.257 -0.883 . . . . 1.0 111.596 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.572 HG21 HG21 ' A' 2435 ' ' THR . 13.5 t -61.16 -50.79 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 N-CA-C 110.063 -0.347 . . . . 1.0 110.063 178.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.488 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 23.5 tptm -61.12 -44.32 97.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.509 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 50.1 ttp180 -63.13 -47.33 83.23 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.89 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.03 90.44 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.602 -0.726 . . . . 1.0 111.369 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.405 ' O ' HG23 ' A' 2471 ' ' VAL . 49.4 m -65.49 -40.6 93.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.541 -0.299 . . . . 1.0 110.423 178.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.9 t70 -55.53 -52.59 63.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.416 0.626 . . . . 1.0 110.102 174.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -56.51 -43.37 79.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.843 -1.072 . . . . 1.0 110.893 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.555 HD11 HG23 ' A' 2345 ' ' ILE . 24.1 tp -61.02 -42.34 98.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.212 178.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.569 ' O ' ' HG3' ' A' 2475 ' ' GLN . 53.7 t -60.41 -51.35 74.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.291 174.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -52.27 -48.42 65.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.685 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -65.14 -37.63 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.408 . . . . 1.0 111.19 -178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.557 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.06 -36.37 79.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.023 0.439 . . . . 1.0 110.795 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' 2471 ' ' VAL . 90.5 mt-30 -63.22 -25.06 68.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.661 -0.699 . . . . 1.0 110.886 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 90.0 mttt -71.92 -30.58 65.49 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.109 0.48 . . . . 1.0 110.41 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.68 15.23 18.76 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.034 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -127.57 147.34 50.34 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.744 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -100.75 88.84 3.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.816 178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -119.03 84.73 2.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.458 0.647 . . . . 1.0 109.441 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -77.56 102.35 6.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.805 -1.089 . . . . 1.0 110.605 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.175 -0.917 . . . . 1.0 109.552 177.464 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . 0.458 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.987 -0.445 . . . . 1.0 111.987 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . 0.763 ' H ' HD13 ' A' 2295 ' ' ILE . 0.2 OUTLIER -83.15 -16.74 11.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.875 0.369 . . . . 1.0 110.741 -179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.2 p30 -108.29 149.08 38.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.249 0.547 . . . . 1.0 110.449 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -83.48 15.26 2.16 Favored 'Trans proline' 0 N--CA 1.465 -0.2 0 C-N-CA 123.864 3.043 . . . . 1.0 113.338 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -103.43 -28.4 11.83 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.362 0.601 . . . . 1.0 110.839 -176.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.458 ' HG1' ' N ' ' A' 2294 ' ' GLY . 3.7 p -90.33 70.73 7.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.507 -0.77 . . . . 1.0 112.168 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -63.21 115.35 17.12 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 108.868 -0.79 . . . . 1.0 108.868 170.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 2380 ' ' PRO . 11.3 Cg_endo -55.51 -32.65 83.46 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.059 2.506 . . . . 1.0 112.405 -175.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 19.4 p -68.77 -47.69 65.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.914 -0.584 . . . . 1.0 110.81 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.4 t -62.25 -38.09 80.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.775 179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.419 HD11 ' HB ' ' A' 2299 ' ' THR . 76.3 mt -58.43 -50.15 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.255 176.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -64.67 -39.26 93.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.946 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 55.5 tt0 -60.41 -44.57 95.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.378 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -64.47 -33.87 76.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -72.06 -40.0 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.861 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.474 ' HG ' HG23 ' A' 2360 ' ' VAL . 4.8 mp -59.29 -43.21 92.61 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.161 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.93 -38.17 78.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.853 0.358 . . . . 1.0 110.851 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.24 -43.82 92.17 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.807 -0.711 . . . . 1.0 111.918 177.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.15 93.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.746 0.307 . . . . 1.0 110.387 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -44.04 91.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.619 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.48 -34.36 75.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.043 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.64 -44.68 63.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.793 178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.77 -42.3 89.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.84 -33.58 76.33 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 121.185 -0.206 . . . . 1.0 111.1 178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.34 -36.06 81.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.068 0.461 . . . . 1.0 110.234 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' 2408 ' ' CYS . . . -69.05 -44.72 72.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.931 175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.602 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -58.76 -30.89 67.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.793 -0.64 . . . . 1.0 110.826 175.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -69.65 -32.76 71.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.236 -177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.563 ' O ' ' HG ' ' A' 2326 ' ' LEU . 62.7 mttm -60.5 -49.1 78.92 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.735 -0.839 . . . . 1.0 108.735 172.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 8.3 mp -58.89 -40.65 85.11 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.197 -1.365 . . . . 1.0 112.019 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' 2320 ' ' ALA . 49.4 mt-10 -69.13 -19.41 64.03 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.299 -178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -98.4 0.07 44.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.97 0.414 . . . . 1.0 110.962 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' 2322 ' ' LYS . 97.2 mt -94.58 108.71 20.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.176 177.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -120.24 112.69 34.37 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.801 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.546 ' CD ' HD22 ' A' 2346 ' ' LEU . 48.7 Cg_exo -56.57 135.44 70.4 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.548 2.166 . . . . 1.0 110.505 171.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -126.72 96.52 4.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.964 0.411 . . . . 1.0 110.178 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -68.29 120.53 14.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.978 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.609 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 40.0 mmtm -67.62 152.57 96.15 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.535 -0.757 . . . . 1.0 109.788 177.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.7 84.2 0.08 OUTLIER 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.102 2.535 . . . . 1.0 112.501 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.609 ' HE2' ' HB2' ' A' 2331 ' ' LYS . 36.9 mtmt -139.08 -162.68 1.35 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.871 -1.058 . . . . 1.0 108.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' 2336 ' ' ASP . 14.0 pt-20 -88.71 169.18 11.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 171.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -88.7 15.66 7.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.967 0.413 . . . . 1.0 111.796 -174.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . 0.509 ' H ' ' HG3' ' A' 2334 ' ' GLU . 22.2 t70 -76.93 113.85 15.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.105 -0.498 . . . . 1.0 109.766 178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 53.34 -99.75 0.09 Allowed 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 123.958 0.786 . . . . 1.0 111.809 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m 57.85 35.77 25.73 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.552 0.533 . . . . 1.0 110.917 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.543 ' HB3' ' HG3' ' A' 2342 ' ' GLU . 38.8 mt 58.43 84.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.048 -0.978 . . . . 1.0 112.316 -177.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.444 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.5 t-20 -81.49 -18.6 44.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.904 -1.147 . . . . 1.0 107.904 172.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' 2345 ' ' ILE . 76.7 t80 -53.01 -43.63 66.68 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 113.239 -1.801 . . . . 1.0 111.361 177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' 2339 ' ' LEU . 64.2 mt-10 -54.34 -40.88 68.45 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.938 0.399 . . . . 1.0 110.942 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 27.5 mt-10 -77.93 -41.63 35.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.162 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' 2340 ' ' ASN . 79.3 mt-30 -60.11 -35.89 76.24 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.039 0.447 . . . . 1.0 110.584 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.522 HG23 HD11 ' A' 2470 ' ' LEU . 41.4 mm -70.28 -43.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.185 175.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.546 HD22 ' CD ' ' A' 2328 ' ' PRO . 29.5 tp -57.73 -53.08 62.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.549 -178.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -61.47 -44.92 96.24 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-O 120.782 0.325 . . . . 1.0 111.297 -178.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 2352 ' ' ILE . . . -69.78 -35.0 74.51 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 120.581 -0.448 . . . . 1.0 110.438 -176.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.72 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 110.058 -0.349 . . . . 1.0 110.058 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.41 -38.73 88.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.72 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.6 p -59.48 -41.49 89.9 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' 2348 ' ' ALA . 57.9 mt -67.64 -47.73 79.05 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.486 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.93 68.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 1.0 111.488 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.43 -47.82 58.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.024 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.32 -38.74 92.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.315 -0.402 . . . . 1.0 111.711 -177.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . . . . . . . . . 22.8 p -68.77 -45.6 70.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.936 0.398 . . . . 1.0 110.69 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 37.0 m -61.76 -36.05 79.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.033 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -67.24 -34.79 78.2 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.818 177.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.47 HD22 HG22 ' A' 2435 ' ' THR . 45.1 tp -64.98 -55.45 19.01 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.676 0.275 . . . . 1.0 111.219 -178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . 0.474 HG23 ' HG ' ' A' 2309 ' ' LEU . 12.8 p -61.26 -33.63 57.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.083 -175.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -78.38 -32.97 49.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.021 178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.89 -37.78 73.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.399 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -64.8 -39.18 93.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.238 176.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.496 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 46.7 t -62.46 -40.33 96.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.368 173.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.79 -35.89 81.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.989 0.423 . . . . 1.0 110.25 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.629 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.88 -44.15 94.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.542 176.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.638 ' O ' HG23 ' A' 2371 ' ' VAL . 51.7 mt-30 -54.28 -56.42 18.58 Favored 'General case' 0 C--O 1.221 -0.419 0 O-C-N 123.469 0.481 . . . . 1.0 110.18 176.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -48.63 -51.98 25.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.145 -0.934 . . . . 1.0 112.153 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' 2373 ' ' GLN . 12.6 mm-40 -70.82 -36.23 72.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.799 0.333 . . . . 1.0 110.898 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.538 ' CD1' ' HB2' ' A' 2375 ' ' LYS . 31.5 tp -63.94 -40.62 96.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.106 0.479 . . . . 1.0 110.744 179.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 2367 ' ' GLN . 97.0 t -60.36 -40.13 83.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.076 176.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -67.11 -39.18 86.63 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.766 -0.652 . . . . 1.0 111.058 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 2369 ' ' GLU . 54.8 mt-30 -71.53 -23.06 61.7 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.973 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 75.19 14.83 81.52 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.956 -0.64 . . . . 1.0 112.782 178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.7 ' HG3' ' HB2' ' A' 2447 ' ' ASP . 25.3 mmmt -64.95 -33.23 75.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.447 0.642 . . . . 1.0 109.501 175.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 14.9 p -98.92 150.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.323 -0.991 . . . . 1.0 108.323 171.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.452 ' O ' HG12 ' A' 2379 ' ' ILE . . . -58.49 -49.67 74.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.72 -0.752 . . . . 1.0 112.021 -177.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . 64.95 24.96 12.71 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.13 0.49 . . . . 1.0 110.766 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 50.1 mm -120.21 122.42 28.85 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.0 110.381 -177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 7.6 Cg_endo -51.06 -34.43 47.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.548 2.832 . . . . 1.0 113.205 176.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -17.74 57.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.852 0.358 . . . . 1.0 111.276 178.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -98.6 23.1 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.855 0.836 . . . . 1.0 109.05 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.21 -17.99 56.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.81 -1.087 . . . . 1.0 112.933 -173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.2 tm? -58.62 -59.53 5.25 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.122 -0.325 . . . . 1.0 110.122 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -80.63 -43.44 20.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.555 0.217 . . . . 1.0 111.295 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -65.12 -33.6 76.42 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 120.9 0.381 . . . . 1.0 111.053 -178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.58 -27.86 72.43 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.88 178.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . 0.45 ' HG3' ' O ' ' A' 2384 ' ' LEU . 25.9 mt-30 -70.88 -36.64 72.85 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.712 -0.477 . . . . 1.0 109.712 179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.1 t90 -71.58 -41.14 69.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.606 176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.435 ' O ' HG13 ' A' 2394 ' ' ILE . 23.1 t -59.3 -57.03 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.314 177.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -58.9 -39.49 81.65 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.096 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.81 -46.05 94.43 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.919 -0.658 . . . . 1.0 111.983 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.5 tp -67.69 -43.12 80.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.933 0.397 . . . . 1.0 110.536 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.533 ' O ' ' HD3' ' A' 2398 ' ' ARG . 87.9 mt -60.64 -53.27 51.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.321 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.9 p -63.29 -38.38 90.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.66 0.267 . . . . 1.0 111.012 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' 2400 ' ' VAL . . . -63.63 -40.61 97.32 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.459 -0.337 . . . . 1.0 110.489 176.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.58 99.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.353 . . . . 1.0 110.425 176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.533 ' HD3' ' O ' ' A' 2394 ' ' ILE . 1.9 mpt_? -61.64 -37.35 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.343 176.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 42.2 ttp -67.51 -46.52 72.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.717 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.749 HG22 ' HA ' ' A' 2435 ' ' THR . 84.2 t -61.47 -50.2 81.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.314 178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -58.8 -32.63 69.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.316 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.77 -52.86 8.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 121.009 -0.277 . . . . 1.0 110.812 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.41 86.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.536 -0.302 . . . . 1.0 111.205 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.5 HG22 HG13 ' A' 2431 ' ' VAL . 78.0 p -65.96 -28.34 68.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.665 -179.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.7 t30 -71.6 -40.46 69.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.646 -0.501 . . . . 1.0 109.646 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -66.02 -38.3 88.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.388 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.527 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.6 tp -66.48 -38.59 87.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 1.0 109.895 176.284 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.495 ' SG ' ' HB1' ' A' 2319 ' ' ALA . 0.3 OUTLIER -54.96 -45.72 74.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.672 173.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -70.62 -34.61 72.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.012 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.16 -46.94 81.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.364 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' 2415 ' ' VAL . . . -66.03 -41.54 90.81 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.667 176.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -52.31 -47.11 66.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.311 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -63.17 -43.92 96.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.863 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.42 95.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.0 -0.546 . . . . 1.0 111.691 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -62.2 -26.08 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.386 0.612 . . . . 1.0 110.43 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -99.56 14.13 31.02 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.642 -175.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 101.04 -8.69 57.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.606 -0.807 . . . . 1.0 113.748 172.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . 0.477 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 42.1 m80 -99.52 83.75 2.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.211 0.529 . . . . 1.0 110.096 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -107.1 108.51 20.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.453 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.559 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 7.6 m -114.43 92.25 3.9 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.023 -1.102 . . . . 1.0 108.023 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -61.81 -34.26 75.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.707 . . . . 1.0 110.975 -170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -53.3 -54.12 40.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.018 177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.559 ' HG2' ' HB2' ' A' 2420 ' ' SER . 58.7 pttt -74.46 -30.11 61.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.347 . . . . 1.0 110.44 -177.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.1 tp -65.76 -45.67 81.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.779 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.403 HG23 HG13 ' A' 2471 ' ' VAL . 75.9 mt -63.89 -51.43 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.875 178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' 2430 ' ' GLN . 58.8 m -56.28 -51.14 69.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 1.0 111.542 -178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.536 ' O ' HG23 ' A' 2431 ' ' VAL . 63.5 m -61.26 -38.0 85.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.581 -0.281 . . . . 1.0 111.3 -178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.94 -39.18 83.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.979 0.419 . . . . 1.0 110.851 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -67.11 -38.08 85.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.106 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.3 mm100 -68.19 -39.45 82.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.611 178.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' 2427 ' ' SER . 51.3 t -58.71 -47.93 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.697 177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.471 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -56.63 -40.51 75.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.61 -0.268 . . . . 1.0 111.013 178.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -72.36 -47.15 51.74 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.511 -178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 10.4 p -67.44 -43.11 81.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.298 -178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.749 ' HA ' HG22 ' A' 2400 ' ' VAL . 26.9 m -66.24 -43.6 86.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.507 . . . . 1.0 110.712 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.748 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.52 -20.77 66.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.661 179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -76.91 -23.04 52.53 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.543 ' HB2' HG21 ' A' 2400 ' ' VAL . 39.1 tp -63.73 -32.01 73.37 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.748 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.23 -52.28 62.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.708 172.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 51.4 t -54.66 -41.12 54.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.521 -0.763 . . . . 1.0 111.264 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.8 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.146 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 38.5 t -74.49 -42.3 59.21 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.207 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.595 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 57.3 mtpt -51.76 -25.78 8.24 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 113.296 0.851 . . . . 1.0 113.296 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 43.2 t -55.01 -47.45 76.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.75 0.309 . . . . 1.0 111.126 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -105.46 -16.47 14.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 1.0 111.335 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -63.24 146.05 54.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.348 0.594 . . . . 1.0 112.063 -175.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.7 ' HB2' ' HG3' ' A' 2375 ' ' LYS . 35.2 t70 -89.98 113.07 24.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.202 -0.908 . . . . 1.0 109.406 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.457 ' O ' ' HB3' ' A' 2449 ' ' ASP . 69.4 mt-30 -70.1 158.93 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.718 -176.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . 0.457 ' HB3' ' O ' ' A' 2448 ' ' GLN . 32.4 t70 76.95 -17.54 0.55 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.589 0.756 . . . . 1.0 111.706 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 7.4 t -66.24 146.26 54.82 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . 0.502 ' O ' ' HD3' ' A' 2455 ' ' ARG . 10.7 mm-40 -61.84 -37.67 85.34 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.061 0.393 . . . . 1.0 112.061 -177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.629 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.78 -40.06 91.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.134 0.492 . . . . 1.0 110.388 176.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.444 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 12.5 tpt -73.18 -30.43 63.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.928 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -47.18 86.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.41 -0.813 . . . . 1.0 109.951 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . 0.502 ' HD3' ' O ' ' A' 2451 ' ' GLU . 12.4 mpt_? -63.72 -44.18 94.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.356 176.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.526 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 0.9 OUTLIER -54.82 -51.3 66.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.372 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.441 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tt0 -59.45 -49.78 76.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.036 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.44 96.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.623 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' 2463 ' ' VAL . . . -63.02 -42.81 99.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.512 -0.313 . . . . 1.0 110.925 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.471 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -65.68 -41.38 95.93 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.907 -0.663 . . . . 1.0 112.038 178.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 2465 ' ' ARG . 32.2 t-20 -61.84 -38.95 90.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.163 0.506 . . . . 1.0 109.658 177.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.06 -40.62 85.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.634 -0.712 . . . . 1.0 111.38 178.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.71 HG21 HG21 ' A' 2435 ' ' THR . 7.6 t -59.33 -45.03 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 CA-C-O 120.995 0.426 . . . . 1.0 110.415 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.441 ' O ' ' HD3' ' A' 2464 ' ' LYS . 11.9 tmtt? -62.86 -44.27 96.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.199 -178.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 2461 ' ' ASN . 21.4 mtm180 -66.53 -44.53 82.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.552 0.691 . . . . 1.0 110.339 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -60.87 -44.82 96.52 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.574 -1.194 . . . . 1.0 111.491 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.6 p -71.54 -35.99 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.637 -0.256 . . . . 1.0 110.631 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.67 -47.87 78.85 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.486 0.66 . . . . 1.0 109.738 174.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 55.0 t30 -61.23 -42.22 98.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.624 -1.171 . . . . 1.0 110.636 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.522 HD11 HG23 ' A' 2345 ' ' ILE . 31.0 tp -62.04 -42.38 99.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.892 177.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.7 t -59.38 -50.35 80.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.152 173.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -50.98 -50.87 57.41 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.548 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.89 97.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.033 0.444 . . . . 1.0 110.973 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.474 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.3 -38.73 90.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.135 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.9 mt-30 -63.31 -20.8 65.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.042 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -78.87 -26.3 43.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -99.36 12.69 35.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 1.0 111.431 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -147.25 172.95 13.05 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.153 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -119.14 99.62 6.83 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.985 0.421 . . . . 1.0 111.093 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -119.42 79.97 1.5 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.243 -0.651 . . . . 1.0 109.243 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -149.82 78.86 1.36 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.631 -0.713 . . . . 1.0 110.8 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.482 -0.77 . . . . 1.0 109.775 178.674 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.992 0 N-CA-C 112.089 -0.404 . . . . 1.0 112.089 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . 0.455 ' O ' HG12 ' A' 2295 ' ' ILE . 10.5 tt -165.95 27.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 122.572 1.177 . . . . 1.0 107.831 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -146.81 149.33 35.92 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 114.34 -1.3 . . . . 1.0 111.458 -167.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -87.12 13.77 2.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.6 2.867 . . . . 1.0 112.027 174.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -98.63 -7.67 27.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.47 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 1.1 p -105.77 23.52 13.77 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.962 0.887 . . . . 1.0 110.575 176.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG12 ' A' 2304 ' ' ILE . 79.3 m-20 -83.08 138.14 42.76 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.384 -1.28 . . . . 1.0 108.69 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.82 -33.29 80.72 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.762 2.308 . . . . 1.0 112.734 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 5.7 p -63.74 -38.66 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.248 -0.433 . . . . 1.0 111.289 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 62.0 t -69.68 -37.17 73.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.095 178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.432 HG12 ' O ' ' A' 2300 ' ' ASP . 30.7 mm -55.57 -49.59 72.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.664 -0.698 . . . . 1.0 109.844 176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.547 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.38 -39.46 90.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.472 -0.785 . . . . 1.0 111.263 179.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.91 -49.91 72.13 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.857 0.361 . . . . 1.0 110.967 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -65.12 -32.9 74.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.728 -177.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.62 -31.03 59.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.256 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.5 mt -69.11 -43.58 74.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.671 0.272 . . . . 1.0 110.44 177.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.61 -32.87 74.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.987 0.422 . . . . 1.0 110.593 176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.1 -33.81 79.66 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.69 -0.767 . . . . 1.0 111.722 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -74.3 -35.92 63.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 1.0 110.419 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.48 -41.2 84.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.756 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.86 -34.71 75.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 1.0 110.891 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -74.88 -40.11 61.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.706 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 73.4 mt -65.64 -41.51 90.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.552 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.6 -24.86 64.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 1.0 110.934 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.71 -32.84 71.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 1.0 110.083 174.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.764 ' HA ' ' HE3' ' A' 2322 ' ' LYS . . . -71.04 -41.2 71.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.732 174.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.511 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.29 -29.42 69.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.68 174.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -76.17 -42.83 45.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.0 111.207 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.764 ' HE3' ' HA ' ' A' 2319 ' ' ALA . 18.4 ptpt -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.81 -0.441 . . . . 1.0 109.81 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 2319 ' ' ALA . 7.5 mp -59.75 -48.15 82.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.489 174.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.59 -31.42 72.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.049 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.708 -176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' 2322 ' ' LYS . 86.9 mt -66.91 -58.94 4.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 175.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 36.0 ttmt 55.06 90.98 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.201 0 O-C-N 124.151 0.907 . . . . 1.0 112.465 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -67.17 95.28 0.37 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.479 2.119 . . . . 1.0 111.462 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -84.2 67.44 9.76 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.155 0.502 . . . . 1.0 111.247 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -156.39 101.49 2.04 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.161 178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -90.7 144.53 30.57 Favored Pre-proline 0 N--CA 1.444 -0.733 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.572 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -71.73 94.52 0.7 Allowed 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.065 2.51 . . . . 1.0 112.147 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -131.25 19.59 4.86 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.452 0.644 . . . . 1.0 110.265 175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -169.36 134.23 1.46 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 114.735 -1.12 . . . . 1.0 109.107 -178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 54.76 57.03 6.04 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.775 0.672 . . . . 1.0 110.874 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -67.8 97.94 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.168 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -123.44 -166.68 1.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.158 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 3.9 p -88.95 34.35 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.574 -0.739 . . . . 1.0 111.314 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 95.1 mt -100.83 87.72 3.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.212 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 21.3 m120 -133.02 13.8 4.28 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.662 -0.699 . . . . 1.0 110.133 -178.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.504 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 72.5 t80 -54.6 -51.02 66.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.084 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.28 -39.59 64.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.298 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.2 mt-10 -72.28 -46.64 54.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.051 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -58.69 -39.03 79.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.859 0.362 . . . . 1.0 111.177 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.511 HG23 HD11 ' A' 2470 ' ' LEU . 48.7 mm -67.2 -44.4 87.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.341 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.605 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 44.0 tp -58.25 -52.56 65.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.367 -177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -63.09 -44.46 95.66 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 111.837 0.31 . . . . 1.0 111.837 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.7 -38.43 90.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 120.822 0.344 . . . . 1.0 110.278 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.33 99.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.317 175.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.605 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.0 mttt -60.36 -43.23 96.72 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.29 175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 68.6 m -59.49 -41.01 88.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.309 178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.56 -55.39 21.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 1.0 110.123 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.511 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.72 -41.16 73.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.892 0.377 . . . . 1.0 111.836 -177.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.8 -48.64 53.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.454 -0.339 . . . . 1.0 111.215 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.18 -37.22 80.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.547 -176.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2404 ' ' THR . 14.8 p -65.03 -40.54 94.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.003 0.43 . . . . 1.0 110.942 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 38.1 t -61.8 -44.94 95.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.078 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.9 -34.61 78.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.437 177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.507 HD11 HD23 ' A' 2456 ' ' LEU . 61.2 tp -62.57 -52.12 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.839 -0.619 . . . . 1.0 111.535 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.3 p -65.33 -30.47 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.994 0.426 . . . . 1.0 110.859 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -76.62 -37.03 57.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.439 -0.346 . . . . 1.0 110.489 177.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.41 92.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.378 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.29 87.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.679 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 21.6 t -64.21 -40.39 95.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.262 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.13 75.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.428 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -58.2 -44.33 88.03 Favored 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.57 177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' 2371 ' ' VAL . 23.3 mt-30 -56.52 -47.05 80.18 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.561 176.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -60.54 -47.07 87.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.484 -175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.27 -40.05 96.3 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.208 0.528 . . . . 1.0 110.059 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.511 ' HG ' HG13 ' A' 2376 ' ' VAL . 12.0 tp -67.76 -34.21 76.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.502 -178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 2367 ' ' GLN . 52.9 t -69.91 -42.66 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.058 174.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -59.75 -38.83 82.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.829 177.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -72.76 -22.69 60.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.041 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.04 29.32 64.95 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.004 -0.617 . . . . 1.0 111.802 -176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -81.34 -24.04 37.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.561 0.696 . . . . 1.0 109.985 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.511 HG13 ' HG ' ' A' 2370 ' ' LEU . 22.4 m -100.02 -176.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.483 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.39 -59.17 5.49 Favored Glycine 0 N--CA 1.443 -0.884 0 N-CA-C 110.624 -0.99 . . . . 1.0 110.624 173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.437 ' HB2' HG23 ' A' 2376 ' ' VAL . . . 59.55 16.43 5.31 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.121 0.568 . . . . 1.0 111.747 175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' 2381 ' ' ALA . 21.8 mm -146.2 129.43 8.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.969 -0.559 . . . . 1.0 109.845 -172.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.46 ' HA ' ' HB2' ' A' 2383 ' ' ALA . 86.3 Cg_exo -48.06 -36.78 28.97 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.374 2.716 . . . . 1.0 113.376 175.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.567 ' H ' HG22 ' A' 2379 ' ' ILE . . . -62.21 -17.8 59.23 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.075 0.464 . . . . 1.0 111.774 176.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -119.35 21.79 12.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.107 0.48 . . . . 1.0 110.062 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.46 ' HB2' ' HA ' ' A' 2380 ' ' PRO . . . -75.27 -18.08 60.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.883 -0.598 . . . . 1.0 111.462 -174.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.739 HD13 ' H ' ' A' 2385 ' ' ASP . 0.0 OUTLIER -56.42 -44.41 80.34 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 120.298 -0.561 . . . . 1.0 109.912 175.638 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . 0.739 ' H ' HD13 ' A' 2384 ' ' LEU . 26.6 t70 -85.01 -58.19 2.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.078 0.466 . . . . 1.0 111.369 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.24 -33.52 76.19 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.754 -172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -65.12 -23.75 69.91 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 121.122 -0.561 . . . . 1.0 112.338 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -82.96 -31.52 27.58 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 42.9 t90 -71.18 -48.33 52.37 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.501 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.472 ' O ' HG13 ' A' 2394 ' ' ILE . 6.2 p -62.75 -40.43 97.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.485 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -63.02 -36.59 84.08 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.287 175.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.99 -42.42 99.68 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.41 -0.676 . . . . 1.0 111.41 179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.52 -42.51 98.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-O 120.723 0.297 . . . . 1.0 110.798 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' 2390 ' ' SER . 90.8 mt -59.41 -53.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.627 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 27.6 m -62.72 -38.52 90.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.955 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.514 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.54 -41.84 98.43 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.567 0.222 . . . . 1.0 110.654 176.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.47 -38.08 88.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.961 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.425 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -64.95 -40.39 94.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.147 0.499 . . . . 1.0 110.072 175.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.0 tpt -66.63 -48.91 67.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.481 -0.781 . . . . 1.0 111.519 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 2435 ' ' THR . 10.1 m -65.0 -37.31 79.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 120.652 -0.419 . . . . 1.0 110.147 -179.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.76 -42.3 99.62 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.561 0.22 . . . . 1.0 110.487 178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.4 -46.29 55.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.791 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.7 -52.0 67.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.116 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.657 HG21 HG21 ' A' 2356 ' ' THR . 82.8 p -65.37 -29.38 70.09 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.568 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 59.7 t30 -73.96 -41.2 62.33 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.215 0.531 . . . . 1.0 110.146 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.44 -33.45 75.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.209 178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.9 tp -69.67 -35.35 75.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.782 -0.645 . . . . 1.0 110.086 176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 95.1 m -62.52 -36.97 84.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.642 176.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -74.85 -28.07 60.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.975 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -71.46 -46.28 60.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.124 -0.489 . . . . 1.0 109.976 174.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.585 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.06 -37.49 87.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.614 -0.721 . . . . 1.0 111.053 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -48.61 -48.59 39.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.078 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.04 99.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.039 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.54 99.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.293 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2411 ' ' ALA . 21.9 t -62.93 -33.12 58.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.429 0.633 . . . . 1.0 110.546 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 16.0 mm-40 -88.88 10.15 22.25 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.569 -0.741 . . . . 1.0 111.77 -174.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 100.41 4.63 54.89 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.632 -0.794 . . . . 1.0 113.718 172.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 4.6 t60 -112.34 92.84 4.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 117.288 0.544 . . . . 1.0 109.996 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -69.1 120.43 14.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.487 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' 2424 ' ' LEU . 71.1 m -126.35 84.41 2.27 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.304 -0.628 . . . . 1.0 109.304 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.71 HE21 ' HA ' ' A' 2475 ' ' GLN . 51.6 tt0 -64.19 -38.39 90.89 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.057 -0.974 . . . . 1.0 110.123 -175.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . 0.488 ' CD ' ' H ' ' A' 2422 ' ' GLU . 1.6 mp0 -59.54 -58.99 6.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.064 -0.971 . . . . 1.0 111.088 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.54 ' HG2' ' HB3' ' A' 2420 ' ' SER . 16.9 ptpt -68.35 -36.72 79.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.819 -177.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 2420 ' ' SER . 2.9 mt -65.21 -46.85 78.98 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.636 -0.256 . . . . 1.0 111.036 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.407 ' HA ' HG22 ' A' 2471 ' ' VAL . 56.2 mt -67.85 -50.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.035 178.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.4 m -59.96 -45.14 93.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.416 -175.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.546 ' O ' HG23 ' A' 2431 ' ' VAL . 30.6 m -67.93 -38.9 83.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.258 -177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.04 -36.2 81.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.452 . . . . 1.0 110.831 -175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' A' 2429 ' ' LYS . 9.1 mtpm? -69.5 -29.63 67.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.255 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -79.48 -39.76 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.331 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' 2427 ' ' SER . 53.5 t -58.11 -55.52 21.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.418 176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.519 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -52.22 -43.59 64.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.241 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -70.6 -48.13 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.498 -0.319 . . . . 1.0 111.559 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' 2437 ' ' GLN . 19.2 m -69.6 -36.89 76.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.395 -0.366 . . . . 1.0 111.195 -176.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.9 m -74.94 -39.98 61.07 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.064 0.459 . . . . 1.0 110.529 -177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.78 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.96 -23.89 66.0 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.233 0.54 . . . . 1.0 109.699 175.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . 0.441 ' HB3' ' O ' ' A' 2434 ' ' SER . 7.9 tp-100 -68.0 -27.35 66.48 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.884 -0.598 . . . . 1.0 110.559 176.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.541 ' HB2' HG11 ' A' 2400 ' ' VAL . 48.5 tp -61.06 -35.49 77.08 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.294 -0.632 . . . . 1.0 109.294 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.78 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -65.02 -49.49 69.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.118 172.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.452 ' O ' HG23 ' A' 2444 ' ' VAL . 48.6 t -58.11 -39.99 75.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.163 -178.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.05 -46.16 88.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.963 178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 44.8 t -69.18 -43.67 73.74 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.954 -0.388 . . . . 1.0 109.954 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 50.4 tttm -57.71 -20.94 37.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.972 -0.558 . . . . 1.0 112.505 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 2440 ' ' VAL . 88.2 t -54.89 -36.98 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-O 121.224 0.535 . . . . 1.0 110.191 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -109.81 -35.95 6.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.627 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.69 133.65 39.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.571 0.701 . . . . 1.0 112.264 -173.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.1 144.28 26.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.902 -1.044 . . . . 1.0 109.034 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -70.88 -6.98 42.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.614 0.598 . . . . 1.0 112.614 -172.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 34.4 t70 -82.39 -18.25 42.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 1.0 111.163 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 64.9 m -63.4 134.89 56.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.298 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -63.46 -44.69 93.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.012 0.375 . . . . 1.0 112.012 -173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -66.76 -27.29 67.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.964 0.411 . . . . 1.0 110.389 177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 17.6 tpt -78.45 -29.37 46.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.437 0.637 . . . . 1.0 109.592 178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -65.18 -44.95 86.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.395 -0.82 . . . . 1.0 109.085 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -66.77 -38.06 85.83 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.381 -0.827 . . . . 1.0 110.134 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.593 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.1 tt -56.03 -48.36 76.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 1.0 109.546 176.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' 2439 ' ' LEU . 32.2 tt0 -59.96 -46.17 90.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.05 177.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.34 91.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.308 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.11 -40.59 90.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.96 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.58 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.25 -42.01 98.03 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.041 -0.6 . . . . 1.0 112.11 177.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . 0.544 ' O ' ' HG3' ' A' 2465 ' ' ARG . 26.4 t-20 -58.58 -41.07 84.89 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.379 -0.6 . . . . 1.0 109.379 176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.91 -36.33 81.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.438 -0.801 . . . . 1.0 111.762 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 2459 ' ' ALA . 10.5 t -62.54 -46.6 96.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.131 0 CA-C-O 120.917 0.389 . . . . 1.0 109.98 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.519 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 28.7 tptp -61.97 -44.44 96.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.43 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . 0.544 ' HG3' ' O ' ' A' 2461 ' ' ASN . 88.0 mtt180 -58.99 -52.31 66.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.458 0.647 . . . . 1.0 110.264 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.73 76.69 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.578 -1.192 . . . . 1.0 111.385 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.7 m -68.94 -45.99 69.34 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.927 -0.398 . . . . 1.0 109.927 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -57.85 -45.33 86.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 175.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 35.2 t30 -61.09 -42.9 99.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.373 -0.831 . . . . 1.0 110.501 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.511 HD11 HG23 ' A' 2345 ' ' ILE . 22.6 tp -65.93 -44.34 85.42 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.421 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.517 ' O ' ' HG3' ' A' 2475 ' ' GLN . 48.7 t -59.34 -45.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.622 176.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -58.12 -47.58 82.85 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.238 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.04 80.04 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.016 0.436 . . . . 1.0 110.932 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.504 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -62.32 -31.98 72.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.93 177.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.71 ' HA ' HE21 ' A' 2421 ' ' GLN . 66.8 mt-30 -67.7 -17.09 64.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.913 178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -86.66 -18.59 30.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.671 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.89 -13.38 53.7 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 121.794 0.807 . . . . 1.0 110.451 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -154.73 95.82 1.81 Allowed 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 114.388 -1.278 . . . . 1.0 109.344 176.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . 0.538 ' HB1' ' HG3' ' A' 2481 ' ' GLU . . . -78.99 134.05 36.81 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.286 -171.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -93.02 21.87 5.42 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.736 -1.12 . . . . 1.0 109.852 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . 0.538 ' HG3' ' HB1' ' A' 2479 ' ' ALA . 39.6 mt-10 -66.97 97.64 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.527 -0.76 . . . . 1.0 110.275 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.458 -0.782 . . . . 1.0 109.885 -178.267 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.267 -0.333 . . . . 1.0 112.267 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 57.9 mt -120.48 121.77 66.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.852 0.358 . . . . 1.0 110.418 -176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -76.57 135.09 68.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.933 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.42 3.59 6.77 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 123.209 2.606 . . . . 1.0 113.085 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.487 ' O ' ' HB ' ' A' 2299 ' ' THR . 70.8 m-85 -130.97 -77.17 0.53 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.914 -178.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' 2298 ' ' PHE . 14.8 t 171.51 35.69 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.347 -0.983 . . . . 1.0 108.347 -178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.447 ' HA ' ' HD2' ' A' 2301 ' ' PRO . 5.9 m-20 -59.65 115.0 10.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 114.402 -1.272 . . . . 1.0 110.932 -174.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' 2300 ' ' ASP . 10.3 Cg_endo -55.98 -39.63 89.98 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 123.016 2.477 . . . . 1.0 111.664 -178.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -63.92 -41.55 97.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.107 -0.951 . . . . 1.0 111.188 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 60.1 t -72.62 -35.24 50.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.925 0.393 . . . . 1.0 110.125 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.486 ' O ' ' HG2' ' A' 2308 ' ' GLU . 83.3 mt -59.7 -46.16 93.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.801 173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.522 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -60.33 -39.24 86.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.974 176.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -58.98 -42.53 90.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.839 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -67.49 -30.29 69.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.146 0.498 . . . . 1.0 110.432 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' 2304 ' ' ILE . 8.3 mm-40 -70.27 -34.96 73.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.389 177.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.11 -47.5 79.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.649 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.3 mp -64.61 -37.1 86.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.654 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.23 -36.48 92.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 1.0 111.779 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.17 -38.46 75.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.746 0.308 . . . . 1.0 110.409 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.53 -47.5 81.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.409 176.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.29 69.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.126 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.66 73.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 67.1 mt -69.89 -40.69 79.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.598 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.12 -30.09 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 1.0 110.335 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.51 -29.43 68.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.992 0.425 . . . . 1.0 110.468 175.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.504 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -73.12 -38.74 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.074 176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.469 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.79 -32.53 73.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.277 0.56 . . . . 1.0 110.173 174.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' 2325 ' ' GLN . 26.2 ttpp -63.7 -50.76 67.93 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.746 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 2319 ' ' ALA . 0.1 OUTLIER -66.59 -26.52 67.14 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 121.025 0.44 . . . . 1.0 110.182 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' 2319 ' ' ALA . 66.9 mt -67.23 -44.97 78.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.52 174.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' 2320 ' ' ALA . 48.0 mt-10 -72.92 -20.5 61.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.032 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' 2321 ' ' LYS . 52.2 mt-30 -71.97 -20.7 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.951 177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' 2412 ' ' ASN . 95.4 mt -66.09 -44.01 85.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.477 177.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' 2327 ' ' LYS . 4.6 ttmp? 71.53 122.95 0.03 OUTLIER Pre-proline 0 C--O 1.234 0.283 0 O-C-N 124.087 0.867 . . . . 1.0 112.036 175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.91 143.38 72.77 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.36 2.04 . . . . 1.0 110.424 172.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' 2329 ' ' ARG . 0.1 OUTLIER -79.66 78.55 6.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.211 0.529 . . . . 1.0 110.899 -176.431 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.07 93.0 6.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.583 -0.735 . . . . 1.0 109.952 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.496 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 29.9 mmmt -104.56 162.47 19.72 Favored Pre-proline 0 C--N 1.318 -0.787 0 CA-C-N 115.416 -0.811 . . . . 1.0 109.649 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 27.0 Cg_endo -66.19 58.39 0.45 Allowed 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.231 2.62 . . . . 1.0 113.311 175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? 174.33 175.91 0.15 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.707 1.203 . . . . 1.0 108.584 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . 0.638 ' HG3' ' H ' ' A' 2336 ' ' ASP . 9.6 tp10 -86.06 140.66 30.06 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.692 -0.403 . . . . 1.0 110.927 -177.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -117.9 23.46 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.322 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . 0.638 ' H ' ' HG3' ' A' 2334 ' ' GLU . 28.2 t70 -78.22 105.68 9.62 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.306 -177.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -143.38 173.54 11.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.495 -0.775 . . . . 1.0 109.188 176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 19.3 m -82.46 36.2 0.47 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.329 0.585 . . . . 1.0 110.926 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -139.06 22.04 2.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.499 -0.773 . . . . 1.0 110.695 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' 2343 ' ' GLU . 3.7 p-10 -85.44 14.78 5.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.327 -0.852 . . . . 1.0 110.341 -178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.518 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 0.3 OUTLIER -54.84 -34.45 62.86 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.427 -0.806 . . . . 1.0 110.538 175.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.421 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 66.6 mt-10 -64.03 -39.28 93.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.801 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' 2347 ' ' GLU . 1.9 pt-20 -72.14 -31.67 66.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 178.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -65.83 -34.07 77.31 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.031 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.553 HG23 HD11 ' A' 2470 ' ' LEU . 46.4 mm -69.44 -44.65 79.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.277 -0.42 . . . . 1.0 109.957 176.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.95 -50.89 71.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.55 -178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.1 pt-20 -60.17 -48.43 81.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.624 0.249 . . . . 1.0 111.49 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.07 -36.2 81.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.934 -174.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.82 98.14 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.323 -0.398 . . . . 1.0 110.393 176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 97.0 mttt -60.37 -41.15 93.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.359 175.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 47.5 m -57.74 -44.13 85.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.958 -0.564 . . . . 1.0 111.043 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' 2348 ' ' ALA . 47.7 mt -65.38 -52.12 55.81 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.175 176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.469 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -55.62 -39.6 71.03 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.248 0.342 . . . . 1.0 111.699 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -72.25 -47.2 52.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.855 0.36 . . . . 1.0 111.132 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.84 80.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.369 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2404 ' ' THR . 12.7 p -69.17 -41.99 76.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.971 0.415 . . . . 1.0 110.823 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.1 m -59.76 -42.75 93.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.869 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.3 82.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.547 176.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -64.71 -53.63 44.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.918 -0.583 . . . . 1.0 111.402 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 15.0 p -65.7 -31.26 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.815 0.341 . . . . 1.0 111.16 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -72.19 -32.94 67.26 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.908 0.385 . . . . 1.0 110.235 175.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.57 -33.03 66.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.677 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.69 83.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.576 177.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 42.8 t -66.75 -33.8 76.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.376 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.57 -38.42 70.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.257 177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.487 ' HA ' ' HB3' ' A' 2452 ' ' ALA . . . -61.67 -39.93 93.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' 2371 ' ' VAL . 14.1 mt-30 -60.88 -51.02 71.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.779 -0.646 . . . . 1.0 109.96 176.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -53.59 -45.04 69.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.699 -0.682 . . . . 1.0 111.342 -176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.465 ' OE2' ' HB3' ' A' 2450 ' ' SER . 19.2 pt-20 -73.02 -35.85 66.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 1.0 110.53 -176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.561 ' HG ' ' HB3' ' A' 2375 ' ' LYS . 5.5 mp -69.55 -41.91 75.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.073 177.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.616 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -62.08 -43.19 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.714 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.05 -50.99 71.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 1.0 111.529 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -74.21 -22.05 59.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.565 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 90.05 24.95 28.13 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.617 -0.801 . . . . 1.0 111.772 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.561 ' HB3' ' HG ' ' A' 2370 ' ' LEU . 54.4 tptt -70.04 -29.39 66.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.27 0.557 . . . . 1.0 109.903 178.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.414 HG11 ' CZ3' ' A' 2389 ' ' TRP . 26.7 m -110.34 -176.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.557 -0.747 . . . . 1.0 110.378 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.759 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -65.58 -63.96 3.75 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.633 -0.794 . . . . 1.0 111.287 176.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.616 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 60.42 19.6 9.27 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 122.893 0.477 . . . . 1.0 111.718 176.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' 2382 ' ' ASN . 25.0 mm -139.45 125.93 12.41 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.993 -174.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.87 -36.42 63.39 Favored 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.242 2.628 . . . . 1.0 113.039 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.493 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.6 -21.5 61.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.278 0.561 . . . . 1.0 111.143 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . 0.536 ' HB2' ' HB ' ' A' 2379 ' ' ILE . 3.0 m-20 -106.7 21.28 17.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.434 0.635 . . . . 1.0 109.423 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.73 -17.02 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.33 -0.85 . . . . 1.0 111.191 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.14 -48.1 82.84 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.202 -0.666 . . . . 1.0 109.202 174.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 15.9 t70 -80.01 -55.66 4.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 1.0 111.173 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.759 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 5.9 t70 -63.75 -38.95 93.04 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.376 -175.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -59.86 -28.38 65.8 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.961 -0.638 . . . . 1.0 112.331 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -74.79 -29.38 61.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.402 0.62 . . . . 1.0 109.49 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.414 ' CZ3' HG11 ' A' 2376 ' ' VAL . 45.0 t90 -81.42 -52.06 7.66 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.269 -0.878 . . . . 1.0 110.592 178.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 6.2 p -62.85 -43.71 98.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.847 -176.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -67.99 -31.77 71.71 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.82 0.343 . . . . 1.0 110.58 179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -66.83 -43.95 90.34 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.6 tp -60.54 -42.21 96.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.376 -0.412 . . . . 1.0 110.203 176.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' 2390 ' ' SER . 74.1 mt -58.23 -49.89 80.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.163 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.682 175.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 25.5 m -59.98 -44.45 94.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.857 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.19 -40.35 93.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.496 -0.32 . . . . 1.0 110.871 177.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.35 89.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.501 -0.318 . . . . 1.0 110.831 178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' 2398 ' ' ARG . 3.2 mpt_? -64.6 -37.93 89.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.07 0.462 . . . . 1.0 109.887 174.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.0 ttm -64.96 -51.49 61.47 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.18 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.598 HG12 ' HA ' ' A' 2435 ' ' THR . 8.1 m -64.67 -35.13 74.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.339 -179.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.54 97.31 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.708 -0.224 . . . . 1.0 110.533 177.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.2 -45.99 36.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.83 0.347 . . . . 1.0 110.674 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . 0.401 ' HA ' ' ND2' ' A' 2406 ' ' ASN . . . -58.46 -51.9 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.284 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.695 HG21 HG21 ' A' 2356 ' ' THR . 67.0 p -69.39 -27.84 65.65 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.972 -176.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -78.11 -43.81 27.92 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.41 -176.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . 0.401 ' ND2' ' HA ' ' A' 2403 ' ' ALA . 7.8 p30 -69.55 -25.8 64.19 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.13 -0.628 . . . . 1.0 110.0 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.554 ' HB2' HG21 ' A' 2431 ' ' VAL . 58.8 tp -69.22 -39.62 78.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 1.0 109.773 172.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 92.6 m -62.75 -33.12 74.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.293 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -72.26 -36.19 68.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.342 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.89 -44.42 89.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.096 0.474 . . . . 1.0 110.028 174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' 2415 ' ' VAL . . . -57.56 -42.78 83.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.553 -0.749 . . . . 1.0 111.033 175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.536 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.0 t30 -49.44 -49.11 46.54 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.481 0.488 . . . . 1.0 111.281 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -71.6 -39.07 70.74 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.944 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . 0.592 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -63.13 -44.78 94.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.762 -176.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' 2411 ' ' ALA . 32.8 t -65.59 -24.46 34.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.22 0.533 . . . . 1.0 110.605 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -101.39 14.51 31.74 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.643 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 108.07 -27.11 15.13 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.471 -0.871 . . . . 1.0 114.462 169.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -99.23 91.62 5.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 117.351 0.575 . . . . 1.0 110.487 -175.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . 0.592 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -126.96 129.1 47.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.649 -174.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.588 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 19.9 m -107.62 96.37 6.34 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 107.34 -1.355 . . . . 1.0 107.34 172.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -62.54 -29.51 70.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.813 -0.63 . . . . 1.0 111.101 -168.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . 0.453 ' HA ' ' HZ ' ' A' 2480 ' ' PHE . 47.4 mt-10 -60.31 -54.03 50.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.944 177.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.588 ' HG2' ' HB2' ' A' 2420 ' ' SER . 17.1 pttp -74.5 -23.79 58.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.912 0.387 . . . . 1.0 110.386 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 51.7 tp -67.63 -51.94 44.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.145 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.498 HD12 ' CE2' ' A' 2480 ' ' PHE . 57.9 mt -63.94 -44.18 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.586 178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 55.7 m -57.54 -44.35 85.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.991 178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 20.2 t -67.33 -46.0 74.76 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.669 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.22 97.17 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.11 0.481 . . . . 1.0 110.887 -176.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.465 ' HE2' HG22 ' A' 2425 ' ' ILE . 53.8 mtmt -62.89 -39.12 93.52 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.865 177.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -72.49 -36.4 68.4 Favored 'General case' 0 N--CA 1.434 -1.242 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.447 -178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' 2427 ' ' SER . 70.4 t -61.11 -50.68 79.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.488 176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.556 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.19 -47.45 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.639 177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -62.29 -49.92 73.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.626 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 52.5 m -67.32 -37.77 83.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.414 -0.357 . . . . 1.0 111.543 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.598 ' HA ' HG12 ' A' 2400 ' ' VAL . 14.8 m -73.01 -40.51 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.156 0.503 . . . . 1.0 110.576 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.724 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.66 -24.52 67.04 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.379 0.609 . . . . 1.0 109.942 176.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -73.56 -21.39 60.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.616 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.594 ' HB2' HG11 ' A' 2400 ' ' VAL . 63.3 tp -63.19 -32.89 74.39 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.323 -0.621 . . . . 1.0 109.323 173.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -64.06 -41.53 97.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.058 173.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' 2444 ' ' VAL . 59.7 t -61.83 -35.77 69.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.446 179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -60.62 -47.16 87.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.892 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -44.77 79.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.587 -0.523 . . . . 1.0 109.587 176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 58.0 tttp -52.02 -24.98 7.46 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 115.491 -0.777 . . . . 1.0 112.837 -177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' 2440 ' ' VAL . 95.6 t -54.33 -39.83 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.878 0.371 . . . . 1.0 111.269 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -115.6 -4.2 12.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.925 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -112.88 136.92 51.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.209 0.528 . . . . 1.0 112.278 -172.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.468 ' O ' ' HB2' ' A' 2450 ' ' SER . 3.9 p-10 -91.92 139.76 30.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.02 170.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.758 ' HA ' ' HB3' ' A' 2453 ' ' MET . 20.8 pt20 -82.04 3.68 25.83 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.898 -0.321 . . . . 1.0 111.23 -175.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . 0.405 ' HA ' ' HE2' ' A' 2454 ' ' LYS . 13.4 t70 -79.27 -26.16 42.41 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 108.693 -0.854 . . . . 1.0 108.693 172.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.468 ' HB2' ' O ' ' A' 2447 ' ' ASP . 3.9 m -56.27 146.2 24.43 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.024 -1.444 . . . . 1.0 111.337 176.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -58.75 -53.33 59.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.589 -0.732 . . . . 1.0 112.575 -170.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.487 ' HB3' ' HA ' ' A' 2366 ' ' ALA . . . -69.88 -30.26 67.67 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.317 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.758 ' HB3' ' HA ' ' A' 2448 ' ' GLN . 64.3 mmm -62.93 -30.36 71.5 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.388 176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.405 ' HE2' ' HA ' ' A' 2449 ' ' ASP . 74.4 mmtt -60.56 -51.9 67.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.039 0.447 . . . . 1.0 110.541 176.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -73.26 -30.4 63.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.532 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.65 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 5.2 tt -59.33 -47.81 83.98 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.531 ' HA ' HD23 ' A' 2439 ' ' LEU . 22.5 tp60 -59.87 -45.97 90.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.524 175.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.64 -32.65 74.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.661 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 2463 ' ' VAL . . . -72.52 -46.93 52.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.843 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.533 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.01 -35.83 92.49 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.873 -0.679 . . . . 1.0 111.882 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . 0.563 ' O ' ' HG3' ' A' 2465 ' ' ARG . 58.6 t30 -64.98 -34.65 78.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.152 0.501 . . . . 1.0 109.781 176.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -69.84 -35.98 75.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.111 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' 2459 ' ' ALA . 21.2 t -60.53 -47.18 93.82 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.296 0 CA-C-O 121.185 0.517 . . . . 1.0 109.942 176.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' 2468 ' ' ASP . 10.0 tmtt? -62.03 -42.15 98.87 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.211 -0.904 . . . . 1.0 110.191 -176.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . 0.563 ' HG3' ' O ' ' A' 2461 ' ' ASN . 46.9 mtt180 -65.62 -48.04 73.6 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.361 0.601 . . . . 1.0 110.422 177.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -57.85 -46.51 84.68 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.58 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 17.5 m -68.53 -38.33 80.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 1.0 110.45 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . 0.511 ' HB2' ' O ' ' A' 2464 ' ' LYS . 0.3 OUTLIER -61.07 -46.25 91.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.279 177.07 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 49.5 t30 -61.81 -36.39 81.0 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.017 -0.992 . . . . 1.0 110.687 177.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.553 HD11 HG23 ' A' 2345 ' ' ILE . 35.5 tp -63.89 -40.93 97.65 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.637 -0.505 . . . . 1.0 109.637 175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' 2475 ' ' GLN . 41.2 t -60.33 -47.88 90.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.281 173.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -54.42 -49.16 70.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.683 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.68 98.4 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.24 0.543 . . . . 1.0 110.687 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.518 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -60.84 -35.83 77.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 1.0 111.039 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' 2471 ' ' VAL . 76.8 mt-30 -59.12 -33.56 71.0 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.918 0.39 . . . . 1.0 110.794 177.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.551 ' HB3' ' HZ3' ' A' 2476 ' ' LYS . 9.5 mtpm? -68.01 -19.28 64.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.868 -0.605 . . . . 1.0 111.45 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -119.81 18.3 12.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.134 0.492 . . . . 1.0 110.642 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' 2480 ' ' PHE . . . -105.56 160.42 15.19 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.475 -176.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -104.81 33.65 3.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.891 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' 2425 ' ' ILE . 81.5 m-85 -82.37 67.01 8.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.543 0.687 . . . . 1.0 110.302 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -113.89 46.65 1.29 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.161 -0.927 . . . . 1.0 110.328 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 C--O 1.246 0.871 0 CA-C-N 114.786 -1.097 . . . . 1.0 109.912 179.441 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.853 -0.499 . . . . 1.0 111.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 35.8 pt -81.78 4.91 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 1.0 110.569 177.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -93.05 152.61 41.5 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.14 -0.936 . . . . 1.0 111.162 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.57 9.49 4.0 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 123.106 2.537 . . . . 1.0 112.125 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -105.93 18.38 22.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.15 -176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 7.4 t -80.16 65.16 5.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.869 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.462 ' O ' HG12 ' A' 2304 ' ' ILE . 29.0 m-20 -62.77 122.83 76.81 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.435 -0.802 . . . . 1.0 109.563 178.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.659 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 14.8 Cg_endo -56.41 -40.26 85.78 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 123.003 2.469 . . . . 1.0 112.874 -174.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 8.9 t -67.14 -34.46 77.63 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.933 0.397 . . . . 1.0 110.712 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 49.9 t -75.82 -23.54 16.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.007 0.432 . . . . 1.0 110.285 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' 2300 ' ' ASP . 44.1 mm -58.12 -42.68 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.189 176.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.584 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -61.77 -37.14 83.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.802 179.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.66 -36.03 75.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.461 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . 0.436 HD22 ' N ' ' A' 2307 ' ' ASN . 0.9 OUTLIER -67.76 -40.78 84.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.034 178.787 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -72.2 -25.84 61.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.136 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' 2305 ' ' ALA . 89.9 mt -60.18 -53.15 61.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.083 0.468 . . . . 1.0 109.858 174.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -66.11 -31.65 72.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.742 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.56 -39.89 95.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.913 -0.661 . . . . 1.0 112.062 175.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . 0.569 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -75.15 -35.34 61.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.094 0.473 . . . . 1.0 110.382 177.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -60.42 -31.61 70.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.974 178.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.18 -30.94 69.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.798 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -80.06 -49.81 11.24 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.508 176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 77.4 mt -58.14 -50.74 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.672 -0.695 . . . . 1.0 111.795 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -69.67 -27.87 65.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.771 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' 2322 ' ' LYS . . . -71.58 -30.34 65.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.404 176.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -65.12 -39.49 93.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.32 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.503 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.24 -33.74 76.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.372 0.606 . . . . 1.0 110.207 175.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' 2325 ' ' GLN . 28.1 ttpp -66.45 -46.03 77.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.355 -0.838 . . . . 1.0 109.781 178.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' 2326 ' ' LEU . 89.4 mttt -54.94 -42.85 72.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.435 0.636 . . . . 1.0 109.497 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.497 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 77.4 mt -60.11 -42.46 94.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.691 -1.141 . . . . 1.0 111.805 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -76.11 -19.16 58.77 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.98 0.419 . . . . 1.0 111.304 178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 2321 ' ' LYS . 54.7 mt-30 -78.15 -4.75 49.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.05 0.452 . . . . 1.0 110.026 174.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' 2322 ' ' LYS . 68.1 mt -103.4 161.57 13.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.503 178.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.568 ' HD2' ' HA ' ' A' 2330 ' ' ALA . 25.0 ttmm -119.36 122.71 29.21 Favored Pre-proline 0 C--N 1.318 -0.768 0 CA-C-N 116.483 -0.326 . . . . 1.0 110.815 -178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' 2327 ' ' LYS . 17.9 Cg_endo -61.42 107.43 0.49 Allowed 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.502 2.135 . . . . 1.0 110.792 173.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.842 ' HD2' ' HD3' ' A' 2333 ' ' LYS . 38.5 ttp180 64.18 81.37 0.21 Allowed 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.527 -0.76 . . . . 1.0 109.427 -172.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . 0.568 ' HA ' ' HD2' ' A' 2327 ' ' LYS . . . -68.1 156.83 36.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.484 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.517 ' HB2' ' HD2' ' A' 2332 ' ' PRO . 23.7 pttm 55.51 156.3 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 125.269 1.428 . . . . 1.0 113.618 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . 0.517 ' HD2' ' HB2' ' A' 2331 ' ' LYS . 18.9 Cg_endo -62.08 88.13 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.924 2.416 . . . . 1.0 112.291 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.842 ' HD3' ' HD2' ' A' 2329 ' ' ARG . 49.2 tttp -85.16 154.35 22.06 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.907 -1.042 . . . . 1.0 109.545 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -70.64 164.09 25.68 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.561 -0.533 . . . . 1.0 109.561 177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -73.02 17.22 0.13 Allowed 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.184 0.439 . . . . 1.0 112.184 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 16.1 t70 -81.42 108.86 15.37 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.591 -0.892 . . . . 1.0 108.591 173.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -70.65 -70.23 0.31 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.664 0.269 . . . . 1.0 111.128 -176.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' 2339 ' ' LEU . 71.7 m 58.06 50.41 10.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.532 -176.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' 2338 ' ' SER . 95.2 mt 75.51 131.06 0.05 OUTLIER 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 114.304 -1.316 . . . . 1.0 110.974 -176.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.54 28.73 1.42 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.62 ' O ' HG12 ' A' 2345 ' ' ILE . 67.3 t80 -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 1.0 111.663 -177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -50.39 -50.62 51.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 1.0 110.434 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' 2347 ' ' GLU . 29.4 mt-10 -65.71 -48.5 71.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.673 -0.694 . . . . 1.0 111.328 -178.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -62.93 -31.17 72.2 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.447 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' 2341 ' ' PHE . 30.1 mm -75.04 -45.49 42.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.451 177.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.474 ' HB2' HG21 ' A' 2415 ' ' VAL . 55.2 tp -59.84 -53.42 58.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.869 -178.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.67 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.6 pt-20 -56.89 -47.52 80.3 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.772 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.467 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.83 -36.58 82.68 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.799 -0.361 . . . . 1.0 110.729 -175.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.95 93.22 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.357 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 60.4 mtpt -64.46 -37.33 87.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.179 176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 63.3 m -61.97 -45.9 91.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.785 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2348 ' ' ALA . 50.6 mt -62.96 -46.52 96.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.524 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.226 176.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.21 -43.3 82.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.948 0.404 . . . . 1.0 111.161 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.48 -47.7 69.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.938 177.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.43 -38.9 91.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.067 -0.515 . . . . 1.0 111.535 -178.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2404 ' ' THR . 18.8 p -68.88 -39.38 79.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 121.076 0.465 . . . . 1.0 110.541 -179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.2 t -58.0 -40.97 82.06 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.218 174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.68 -38.35 89.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.528 177.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2456 ' ' LEU . 67.3 tp -63.43 -54.05 42.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.653 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.9 p -63.3 -34.71 68.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 1.0 111.353 -175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.05 -29.08 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 1.0 111.021 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -72.31 -33.71 67.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.479 -0.328 . . . . 1.0 110.371 177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.39 -34.05 74.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.822 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 29.3 t -64.68 -40.27 95.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.52 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.58 66.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.966 0.413 . . . . 1.0 110.276 176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.76 -48.27 75.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.444 -0.798 . . . . 1.0 110.84 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.556 ' O ' HG23 ' A' 2371 ' ' VAL . 38.7 mt-30 -59.94 -45.95 90.98 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.924 -0.58 . . . . 1.0 111.36 177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 17.4 tpt180 -60.45 -35.7 76.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.366 -170.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' 2373 ' ' GLN . 12.6 mm-40 -58.47 -41.7 85.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.395 0.617 . . . . 1.0 110.395 175.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 35.7 mt -77.33 -35.62 54.64 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.604 -0.726 . . . . 1.0 110.851 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' 2367 ' ' GLN . 62.3 t -68.56 -48.74 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.997 -179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.93 99.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.938 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.499 ' OE1' ' HE3' ' A' 2375 ' ' LYS . 0.0 OUTLIER -74.42 -22.01 59.35 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.875 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 84.19 25.6 43.56 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.807 -0.711 . . . . 1.0 113.096 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.499 ' HE3' ' OE1' ' A' 2373 ' ' GLN . 33.1 ttmt -76.72 -33.17 58.19 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.114 0.483 . . . . 1.0 110.059 178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 34.0 m -90.44 173.19 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.257 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.501 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -78.5 78.27 1.64 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.398 -0.681 . . . . 1.0 111.398 175.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -84.0 20.14 1.61 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.993 0.425 . . . . 1.0 110.878 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.548 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -127.58 122.53 22.7 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.063 -0.717 . . . . 1.0 109.063 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.27 -17.56 12.19 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.373 2.715 . . . . 1.0 113.936 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.548 ' H ' HG22 ' A' 2379 ' ' ILE . . . -77.48 -6.62 54.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.186 0.517 . . . . 1.0 110.805 175.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.82 23.62 10.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.587 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.659 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.57 -18.77 62.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.531 -0.759 . . . . 1.0 112.227 -173.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.26 -51.6 68.87 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.314 0.578 . . . . 1.0 110.474 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -76.91 -56.47 4.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.449 -175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' 2377 ' ' GLY . 0.4 OUTLIER -74.52 -21.86 59.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.012 0.434 . . . . 1.0 110.889 -174.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -64.04 -29.46 74.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.682 -0.771 . . . . 1.0 111.522 175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -75.55 -27.06 58.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.936 0.398 . . . . 1.0 110.262 175.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.427 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 52.7 t90 -74.72 -49.12 22.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.241 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.424 ' O ' HG13 ' A' 2394 ' ' ILE . 10.3 p -59.71 -35.85 75.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.017 176.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -56.45 -48.47 77.0 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.368 172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.57 -36.93 93.91 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 115.738 -0.665 . . . . 1.0 112.119 178.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.67 -44.08 62.3 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 121.365 -0.134 . . . . 1.0 110.655 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' 2390 ' ' SER . 91.5 mt -60.1 -51.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.246 0 CA-C-O 120.813 0.34 . . . . 1.0 110.566 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' 2399 ' ' MET . 16.5 p -56.7 -35.78 68.9 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.993 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.67 ' O ' HG13 ' A' 2400 ' ' VAL . . . -76.47 -49.27 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 121.226 -0.19 . . . . 1.0 111.299 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.517 ' O ' HG22 ' A' 2400 ' ' VAL . . . -61.54 -40.39 94.51 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.989 0.423 . . . . 1.0 111.562 -177.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.67 -25.69 59.35 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.503 ' HB2' ' O ' ' A' 2395 ' ' SER . 25.3 ttt -71.41 -47.36 56.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.683 175.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.67 HG13 ' O ' ' A' 2396 ' ' ALA . 3.9 m -62.0 -36.9 76.66 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.236 0 N-CA-C 110.025 -0.361 . . . . 1.0 110.025 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.569 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -60.35 -44.16 95.82 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 120.698 0.285 . . . . 1.0 110.629 178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.39 58.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.774 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.03 -49.15 78.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.482 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.616 HG21 HG21 ' A' 2356 ' ' THR . 81.7 p -69.08 -31.39 70.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 1.0 110.478 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -69.54 -40.37 76.91 Favored 'General case' 0 CA--C 1.516 -0.34 0 N-CA-C 109.627 -0.508 . . . . 1.0 109.627 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -34.46 78.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.608 177.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.546 HD22 HG21 ' A' 2431 ' ' VAL . 47.3 tp -67.96 -39.46 83.39 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.101 -0.5 . . . . 1.0 109.915 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 28.0 t -57.87 -40.41 80.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.297 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -69.56 -37.89 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.845 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.56 75.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.437 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.84 98.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.637 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.62 ' O ' ' HG2' ' A' 2416 ' ' GLN . 30.8 t30 -57.21 -50.59 72.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.435 177.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -55.41 -45.48 76.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 1.0 110.897 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.75 -44.14 94.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.541 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' 2346 ' ' LEU . 8.0 p -73.84 -19.37 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.266 0.555 . . . . 1.0 111.071 -177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.62 ' HG2' ' O ' ' A' 2412 ' ' ASN . 79.8 mm-40 -81.02 -6.95 59.4 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.247 175.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 114.74 -10.34 21.3 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.823 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -94.97 88.21 5.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.086 0.469 . . . . 1.0 109.97 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -75.38 135.32 40.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.183 -176.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 47.5 m -147.46 84.49 1.56 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.415 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -43.32 84.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.82 -174.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' 2422 ' ' GLU . 3.2 mp0 -53.67 -55.54 25.14 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.563 -0.744 . . . . 1.0 111.0 -177.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 51.8 pttt -73.13 -29.98 63.28 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.818 -0.353 . . . . 1.0 110.915 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -49.33 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.552 -0.294 . . . . 1.0 110.498 -177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.719 HG23 HG13 ' A' 2471 ' ' VAL . 84.9 mt -58.79 -41.61 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.445 177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.0 m -66.17 -54.89 19.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.775 -0.648 . . . . 1.0 111.1 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.563 ' O ' HG23 ' A' 2431 ' ' VAL . 22.0 p -62.98 -31.41 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.591 -175.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -69.06 -39.11 79.33 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 1.0 110.451 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.01 -40.29 87.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.716 177.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -64.29 -34.54 78.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.676 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' 2427 ' ' SER . 49.0 t -61.26 -55.19 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.477 -0.329 . . . . 1.0 110.253 174.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.426 ' HB2' ' OG ' ' A' 2467 ' ' SER . . . -51.68 -47.25 63.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.082 179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.31 66.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 1.0 112.033 -177.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.6 m -68.97 -35.68 77.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.78 0.324 . . . . 1.0 111.045 -176.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.5 m -75.37 -42.91 52.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.942 0.401 . . . . 1.0 111.06 -177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.649 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.74 -25.3 67.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.215 0.531 . . . . 1.0 109.804 176.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -66.77 -29.13 69.01 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.506 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.56 ' HB2' HG11 ' A' 2400 ' ' VAL . 44.8 tp -57.02 -37.65 72.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.14 0.495 . . . . 1.0 109.678 174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.716 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.5 mp -68.74 -45.74 70.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.572 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 29.4 t -60.45 -33.86 55.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.952 -177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.2 76.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.798 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.3 t -66.17 -39.86 90.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.318 . . . . 1.0 110.324 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.479 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 0.0 OUTLIER -50.58 -29.7 11.42 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.428 -179.341 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 67.8 t -53.47 -38.58 33.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 111.865 0.32 . . . . 1.0 111.865 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.427 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 2.1 mptp? -111.81 5.4 19.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.098 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -110.43 169.03 9.01 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.693 0.627 . . . . 1.0 112.693 -168.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -107.03 117.88 35.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.279 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' 2448 ' ' GLN . 5.2 pm0 -62.56 -27.83 69.45 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -174.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -97.46 9.87 41.25 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.644 0.238 . . . . 1.0 111.644 -174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 6.3 t -81.98 144.33 30.97 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.731 -0.47 . . . . 1.0 109.731 178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.42 -48.99 78.68 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.103 0.408 . . . . 1.0 112.103 -172.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' 2369 ' ' GLU . . . -64.77 -27.54 68.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.111 0.482 . . . . 1.0 110.613 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 24.4 tpp -81.31 -26.26 35.81 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.766 -0.652 . . . . 1.0 109.329 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -68.82 -38.7 80.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.362 -0.835 . . . . 1.0 109.371 176.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 15.3 ttm180 -59.19 -37.61 77.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.374 -0.83 . . . . 1.0 109.553 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.621 HD12 HD12 ' A' 2359 ' ' LEU . 58.4 tp -69.17 -48.3 62.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.243 -0.89 . . . . 1.0 110.54 177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.716 ' HA ' HD23 ' A' 2439 ' ' LEU . 36.1 tt0 -58.63 -49.95 75.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.993 -0.549 . . . . 1.0 111.401 -179.018 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.35 -34.15 73.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.749 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.28 -45.37 73.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.749 0.309 . . . . 1.0 110.648 179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.425 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -63.92 -31.82 82.09 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.639 -0.584 . . . . 1.0 111.639 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -64.17 -43.53 94.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.223 0.535 . . . . 1.0 109.919 178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.76 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.44 178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 12.4 t -61.73 -49.98 82.1 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.154 0 CA-C-O 120.868 0.366 . . . . 1.0 110.149 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 27.4 tptp -61.65 -42.64 99.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.806 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -66.06 -46.08 79.05 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.958 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.65 -38.75 84.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.649 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.426 ' OG ' ' HB2' ' A' 2432 ' ' ALA . 13.7 p -69.06 -37.16 78.37 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.952 -0.299 . . . . 1.0 110.364 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 4.2 t70 -56.78 -51.48 68.76 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.383 0.611 . . . . 1.0 110.014 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -54.82 -41.97 71.3 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.68 -1.145 . . . . 1.0 110.906 177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.599 HD11 HG23 ' A' 2345 ' ' ILE . 24.2 tp -64.13 -46.97 81.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.3 177.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.719 HG13 HG23 ' A' 2425 ' ' ILE . 49.2 t -56.9 -50.95 73.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.306 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -51.3 -50.16 59.88 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.544 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.78 ' HA ' ' HE2' ' A' 2476 ' ' LYS . . . -59.08 -41.88 89.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.117 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -65.06 -36.66 85.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.23 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.681 ' HB3' ' HB2' ' A' 2480 ' ' PHE . 96.9 mt-30 -61.39 -36.83 81.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.091 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.78 ' HE2' ' HA ' ' A' 2473 ' ' ALA . 51.8 mtmt -71.47 -29.89 65.37 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.907 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -83.57 11.34 7.28 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.338 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -128.09 -89.51 0.53 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.119 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -173.25 25.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.975 0.417 . . . . 1.0 110.623 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.681 ' HB2' ' HB3' ' A' 2475 ' ' GLN . 97.0 m-85 -104.1 61.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.95 0.405 . . . . 1.0 111.191 -174.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -89.33 78.96 7.13 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.396 -0.965 . . . . 1.0 108.396 172.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.248 0.991 0 CA-C-N 114.801 -1.091 . . . . 1.0 110.057 -172.193 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.813 0 N-CA-C 111.921 -0.472 . . . . 1.0 111.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 62.2 mt -90.97 -72.95 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.696 -0.853 . . . . 1.0 108.696 174.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.52 ' HB3' ' HD2' ' A' 2297 ' ' PRO . 10.5 m-20 67.56 158.2 0.14 Allowed Pre-proline 0 N--CA 1.467 0.394 0 O-C-N 124.07 0.857 . . . . 1.0 112.211 168.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.52 ' HD2' ' HB3' ' A' 2296 ' ' ASP . 18.8 Cg_endo -64.82 -70.17 0.03 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.367 2.045 . . . . 1.0 112.005 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.434 ' CD2' HG23 ' A' 2299 ' ' THR . 28.3 p90 -145.6 3.09 0.97 Allowed 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.699 -0.682 . . . . 1.0 112.363 179.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.434 HG23 ' CD2' ' A' 2298 ' ' PHE . 1.3 p -146.14 101.54 3.52 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.875 0.695 . . . . 1.0 112.875 -172.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.583 ' O ' HG12 ' A' 2304 ' ' ILE . 4.7 t70 -102.14 121.18 51.33 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 107.987 -1.116 . . . . 1.0 107.987 166.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.51 -33.72 87.06 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.592 2.194 . . . . 1.0 113.563 -173.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 81.0 p -78.85 -29.61 44.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.068 0.461 . . . . 1.0 110.307 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.632 ' HA ' ' HG2' ' A' 2306 ' ' GLU . 56.3 t -65.08 -36.29 77.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.844 172.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.583 HG12 ' O ' ' A' 2300 ' ' ASP . 29.6 mm -57.08 -47.43 83.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.291 0.567 . . . . 1.0 109.726 174.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.88 -46.42 75.02 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.338 -0.846 . . . . 1.0 112.294 -176.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.632 ' HG2' ' HA ' ' A' 2303 ' ' VAL . 8.4 pt-20 -61.15 -38.43 86.4 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.869 -0.332 . . . . 1.0 111.071 -177.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.59 -34.7 78.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.779 0.323 . . . . 1.0 110.497 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -72.49 -40.22 67.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.513 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.21 -46.95 84.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.575 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' 2306 ' ' GLU . 10.5 mp -61.89 -29.79 70.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.63 175.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.16 -35.3 70.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.958 -0.639 . . . . 1.0 111.822 176.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -73.9 -38.71 64.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.389 . . . . 1.0 110.199 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.79 -38.97 79.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.36 -37.47 75.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.163 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.94 -32.28 67.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.74 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 59.6 mt -74.72 -43.46 47.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.279 178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.66 -26.42 67.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.525 177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.35 -33.47 75.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.984 0.421 . . . . 1.0 110.16 175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.49 -42.74 82.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.008 176.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.481 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.73 -30.95 71.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.74 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -63.83 -41.4 97.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.531 -0.759 . . . . 1.0 110.061 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -67.09 -40.02 86.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.599 -0.728 . . . . 1.0 109.958 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' 2319 ' ' ALA . 7.3 mp -56.01 -46.38 78.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.238 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.26 -19.24 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.747 0.647 . . . . 1.0 112.747 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -81.67 -11.21 59.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.15 0.5 . . . . 1.0 109.925 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.479 HD11 HD22 ' A' 2412 ' ' ASN . 96.7 mt -98.1 120.37 38.38 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.582 -0.735 . . . . 1.0 110.687 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.429 ' HA ' ' HD2' ' A' 2328 ' ' PRO . 87.4 tttt -146.63 123.19 5.72 Favored Pre-proline 0 C--N 1.314 -0.937 0 N-CA-C 108.871 -0.789 . . . . 1.0 108.871 176.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.686 ' HG3' ' HG2' ' A' 2343 ' ' GLU . 10.2 Cg_endo -53.69 106.3 0.16 Allowed 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.016 2.477 . . . . 1.0 111.926 -178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -84.83 135.0 34.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.033 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -70.83 107.28 3.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.324 -177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' 2333 ' ' LYS . 34.9 mmtp -80.15 153.63 74.59 Favored Pre-proline 0 N--CA 1.442 -0.853 0 CA-C-N 115.375 -0.829 . . . . 1.0 109.231 174.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -65.0 86.84 0.18 Allowed 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.724 2.283 . . . . 1.0 111.198 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.541 ' HD3' ' O ' ' A' 2336 ' ' ASP . 67.4 mttm -111.95 142.36 44.46 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.297 -0.865 . . . . 1.0 110.502 -177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -129.41 97.98 4.73 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.309 -0.626 . . . . 1.0 109.309 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 67.44 19.31 10.06 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.597 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . 0.541 ' O ' ' HD3' ' A' 2333 ' ' LYS . 27.6 t70 -109.77 105.37 14.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.106 179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.06 131.18 50.24 Favored 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 120.518 -0.473 . . . . 1.0 110.318 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 22.6 m -99.59 26.89 5.73 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.631 0.729 . . . . 1.0 109.336 176.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 75.4 mt 66.39 163.23 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.052 -1.431 . . . . 1.0 111.571 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 2344 ' ' GLN . 24.7 t-20 -84.74 0.99 48.63 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.064 -0.717 . . . . 1.0 109.064 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' 2345 ' ' ILE . 77.0 t80 -48.56 -45.02 37.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 114.571 -1.195 . . . . 1.0 111.44 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -59.31 -36.91 76.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.05 0.452 . . . . 1.0 110.755 -178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.686 ' HG2' ' HG3' ' A' 2328 ' ' PRO . 34.6 mt-10 -78.69 -38.81 38.31 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.506 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' 2340 ' ' ASN . 89.1 mt-30 -57.12 -42.45 80.91 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 123.467 0.479 . . . . 1.0 110.562 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.607 HG12 ' O ' ' A' 2341 ' ' PHE . 44.6 mm -66.08 -42.29 91.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.447 178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 62.2 tp -60.95 -52.55 64.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.272 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' 2343 ' ' GLU . 4.4 pt-20 -60.78 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 120.741 -0.383 . . . . 1.0 111.518 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.59 91.23 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.579 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.69 -43.64 98.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.589 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.1 -37.55 87.66 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.905 0.383 . . . . 1.0 110.326 176.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.5 m -58.13 -47.34 83.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.78 -0.645 . . . . 1.0 110.345 176.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.76 -53.2 51.39 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.337 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -52.96 -44.16 66.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 1.0 111.688 -178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.56 36.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.079 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.76 90.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.897 -0.592 . . . . 1.0 111.433 -177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.531 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -68.69 -44.62 73.58 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 120.867 0.365 . . . . 1.0 111.146 -178.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.0 m -61.59 -39.97 93.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.222 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -64.84 -40.33 95.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.256 176.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.485 HD12 HD23 ' A' 2456 ' ' LEU . 60.8 tp -61.83 -53.35 57.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.71 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 7.8 p -64.31 -33.5 63.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.819 0.342 . . . . 1.0 111.139 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.16 -32.15 61.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.799 0.333 . . . . 1.0 110.528 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -70.83 -30.31 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.381 176.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -65.51 -37.75 87.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.045 0.45 . . . . 1.0 110.264 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 38.0 t -69.63 -39.86 76.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.896 -0.593 . . . . 1.0 109.876 176.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.22 -33.44 76.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.408 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.561 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.32 -41.13 92.89 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.415 176.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.537 ' O ' HG23 ' A' 2371 ' ' VAL . 35.5 mt-30 -59.47 -50.45 73.87 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 116.061 -0.518 . . . . 1.0 109.775 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -51.27 -48.2 62.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.939 -177.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.13 -39.74 65.48 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.056 0.455 . . . . 1.0 110.274 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' 2445 ' ' LYS . 15.4 tp -60.45 -43.47 96.83 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.462 0.649 . . . . 1.0 110.201 177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 2367 ' ' GLN . 93.3 t -71.59 -36.28 59.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.114 -0.948 . . . . 1.0 111.024 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -60.3 -30.7 69.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.361 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -102.21 6.05 40.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.989 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 59.43 46.84 93.26 Favored Glycine 0 C--N 1.334 0.452 0 CA-C-N 116.01 -0.541 . . . . 1.0 113.171 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 65.0 mttm -99.23 19.28 15.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.824 0.345 . . . . 1.0 111.027 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 7.2 p -157.16 160.45 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -73.88 62.54 2.04 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.061 -0.59 . . . . 1.0 112.335 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.45 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -75.17 2.79 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.491 0.662 . . . . 1.0 111.795 -175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' 2381 ' ' ALA . 3.0 mp -95.53 126.06 47.1 Favored Pre-proline 0 C--N 1.308 -1.203 0 CA-C-N 115.107 -0.951 . . . . 1.0 109.874 179.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.445 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.9 Cg_endo -41.1 -38.77 3.29 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 124.233 3.289 . . . . 1.0 114.254 176.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.03 -11.53 60.59 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.052 0.454 . . . . 1.0 111.575 -178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 61.4 t30 -125.07 23.91 7.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.067 0.937 . . . . 1.0 109.283 -178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.89 -18.84 65.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.019 -0.991 . . . . 1.0 111.25 -177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -34.67 73.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.095 0.474 . . . . 1.0 110.094 177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 20.2 t70 -79.12 -49.83 11.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.504 -0.316 . . . . 1.0 110.736 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 11.0 t70 -66.65 -37.98 85.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.514 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.36 -29.87 60.85 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.887 -0.673 . . . . 1.0 112.338 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -74.59 -32.59 62.41 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.153 0.501 . . . . 1.0 110.418 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.43 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 42.6 t90 -81.32 -51.01 8.83 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.337 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.598 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.0 m -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.729 -0.668 . . . . 1.0 112.12 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -67.13 -28.44 68.14 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 120.583 -0.447 . . . . 1.0 111.289 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -70.91 -41.18 62.53 Favored Glycine 0 N--CA 1.451 -0.321 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 173.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 44.0 tp -64.94 -43.42 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.155 0.502 . . . . 1.0 110.272 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.7 mt -60.55 -50.83 78.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.645 -0.707 . . . . 1.0 111.548 179.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 43.4 t -62.2 -38.98 91.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.455 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.606 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.27 -40.29 95.67 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.541 177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.435 ' O ' HG22 ' A' 2400 ' ' VAL . . . -62.7 -39.92 95.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.267 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 2398 ' ' ARG . 3.2 mpt_? -68.5 -36.44 78.91 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.659 -0.416 . . . . 1.0 110.32 175.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 51.4 ttm -61.51 -47.96 83.24 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.672 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' 2396 ' ' ALA . 3.6 m -67.69 -36.84 77.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 N-CA-C 110.007 -0.368 . . . . 1.0 110.007 178.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -64.67 -32.55 74.27 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.1 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.99 -49.22 13.09 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.994 -0.282 . . . . 1.0 110.515 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.59 -50.28 74.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.386 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.666 HG22 HG13 ' A' 2431 ' ' VAL . 75.6 p -67.59 -26.12 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.0 110.668 -178.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' 2408 ' ' CYS . 22.3 t-20 -76.75 -39.58 51.26 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.137 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.69 -30.53 70.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.193 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.639 HD22 HG21 ' A' 2431 ' ' VAL . 24.8 tp -67.86 -32.11 72.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.946 -0.57 . . . . 1.0 109.992 176.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.515 ' HB3' ' O ' ' A' 2405 ' ' ASN . 3.7 t -60.74 -42.7 97.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.32 174.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' 2412 ' ' ASN . 51.0 mt-10 -64.44 -38.37 90.8 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.951 178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.29 -49.49 66.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.919 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.01 -36.55 81.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.831 177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.479 HD22 HD11 ' A' 2326 ' ' LEU . 23.2 t-20 -49.64 -50.88 41.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.591 -0.732 . . . . 1.0 111.76 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -70.0 -34.5 73.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.033 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -63.36 -38.62 91.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 111.433 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 18.8 t -67.82 -26.66 35.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.351 0.596 . . . . 1.0 110.594 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -103.18 25.06 9.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.814 -0.63 . . . . 1.0 112.366 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.98 4.11 84.81 Favored Glycine 0 N--CA 1.454 -0.136 0 C-N-CA 120.778 -0.725 . . . . 1.0 113.994 170.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 40.9 t60 -117.83 77.64 1.16 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 117.178 0.489 . . . . 1.0 109.739 178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -93.38 134.95 35.09 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.209 0.528 . . . . 1.0 111.511 -175.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 47.9 t -129.92 95.58 3.99 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.262 -1.014 . . . . 1.0 108.262 173.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.437 ' NE2' ' H ' ' A' 2421 ' ' GLN . 1.6 mp0 -64.63 -32.34 73.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.038 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -59.83 -49.68 76.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.737 -0.665 . . . . 1.0 110.788 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' A' 2420 ' ' SER . 50.4 pttt -78.4 -26.06 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 1.0 110.363 -178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 47.8 tp -69.91 -52.67 22.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.593 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.413 HG23 HG13 ' A' 2471 ' ' VAL . 84.4 mt -59.71 -46.68 93.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.984 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.9 m -57.96 -41.55 83.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.273 -179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.535 ' O ' HG23 ' A' 2431 ' ' VAL . 23.3 m -71.12 -40.59 71.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.73 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.34 -32.76 74.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.923 0.392 . . . . 1.0 110.95 -176.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.61 -44.58 90.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.92 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.73 -36.97 73.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.582 -0.736 . . . . 1.0 111.422 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.666 HG13 HG22 ' A' 2404 ' ' THR . 58.1 t -57.96 -56.9 13.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.418 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.801 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.5 -45.84 80.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.185 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.33 -47.94 71.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.411 -0.359 . . . . 1.0 111.728 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 14.9 m -70.96 -37.59 72.81 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 1.0 110.855 -176.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.592 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.9 m -74.6 -39.59 62.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.145 -176.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.631 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.47 -23.23 65.48 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.506 0.67 . . . . 1.0 109.908 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.35 -25.5 60.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.383 -0.826 . . . . 1.0 110.202 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.517 ' HB2' HG11 ' A' 2400 ' ' VAL . 58.8 tp -60.6 -32.66 71.77 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.817 175.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.631 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.85 -46.04 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.406 174.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 52.3 t -58.01 -34.84 49.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.473 -0.785 . . . . 1.0 110.678 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.26 85.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.889 -0.596 . . . . 1.0 111.455 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.8 t -77.73 -37.82 48.43 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 121.046 -0.262 . . . . 1.0 110.656 179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' 2443 ' ' LYS . 9.2 mtpm? -54.67 -20.07 7.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.026 0.75 . . . . 1.0 113.026 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.43 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 60.5 t -52.21 -41.21 32.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.802 0.334 . . . . 1.0 111.248 178.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.42 ' HB3' HD21 ' A' 2370 ' ' LEU . 5.9 mptp? -109.98 -37.86 5.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.612 -0.267 . . . . 1.0 110.971 176.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -73.81 142.04 46.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.881 0.372 . . . . 1.0 111.574 -175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.8 t70 -92.5 159.13 15.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.793 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -74.62 -10.81 59.9 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.157 0.429 . . . . 1.0 112.157 -176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -98.79 -2.86 36.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.002 0.429 . . . . 1.0 110.258 177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 37.0 m -62.28 136.79 58.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.652 177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . 0.402 ' HG2' ' NH2' ' A' 2455 ' ' ARG . 32.6 tt0 -64.18 -41.85 96.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.837 -176.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.561 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -67.72 -27.3 66.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.644 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -72.06 -31.02 65.72 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.063 178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -60.91 -48.23 82.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.921 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' 2455 ' ' ARG . 5.4 ptp180 -70.6 -31.1 67.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.556 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.485 HD23 HD12 ' A' 2359 ' ' LEU . 6.6 mt -60.05 -54.22 48.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.023 0.44 . . . . 1.0 110.405 173.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.456 ' HA ' ' CD2' ' A' 2439 ' ' LEU . 35.3 tt0 -61.69 -39.47 91.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.676 -0.693 . . . . 1.0 111.018 -177.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -64.08 -45.53 88.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.371 -0.377 . . . . 1.0 111.257 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.2 -40.76 77.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.749 0.309 . . . . 1.0 110.945 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.415 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -64.12 -41.22 98.52 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.034 -0.603 . . . . 1.0 111.961 177.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -58.81 -40.82 85.25 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.317 -0.623 . . . . 1.0 109.317 176.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.65 98.9 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.12 -0.945 . . . . 1.0 111.498 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 2459 ' ' ALA . 15.3 t -59.14 -49.61 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 120.914 0.388 . . . . 1.0 110.052 178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.801 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 25.7 tptp -59.24 -47.63 84.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.635 -0.711 . . . . 1.0 110.432 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -67.07 -38.01 85.02 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.013 -0.539 . . . . 1.0 111.345 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.33 -36.66 79.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.445 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.477 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 32.4 m -71.2 -43.34 67.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.412 177.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.31 -42.9 78.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.09 0.471 . . . . 1.0 110.214 173.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 17.7 t30 -60.26 -47.63 85.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 1.0 110.649 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.515 HD11 HG23 ' A' 2345 ' ' ILE . 23.4 tp -62.77 -44.11 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.892 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.572 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.2 t -60.46 -51.9 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.57 177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -54.7 -48.77 72.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.316 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -59.68 -39.94 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.801 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -66.06 -39.69 90.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.906 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.572 ' HG3' ' O ' ' A' 2471 ' ' VAL . 94.3 mt-30 -60.58 -31.01 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.554 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -74.96 -21.22 59.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.259 -0.428 . . . . 1.0 111.451 179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.54 12.28 27.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.284 0.564 . . . . 1.0 111.292 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -143.13 -37.02 0.37 Allowed 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.791 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 67.67 95.11 0.06 Allowed 'General case' 0 N--CA 1.461 0.12 0 O-C-N 123.977 0.798 . . . . 1.0 111.36 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -103.91 16.01 27.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.679 177.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . 0.408 ' HG2' ' H ' ' A' 2481 ' ' GLU . 5.7 pt-20 -90.64 97.02 10.94 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.298 -0.864 . . . . 1.0 110.648 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.569 -0.729 . . . . 1.0 110.379 -179.392 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.827 0 N-CA-C 112.186 -0.366 . . . . 1.0 112.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 48.5 mm -64.88 -51.39 67.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.074 0.464 . . . . 1.0 110.349 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -111.38 153.46 44.1 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.624 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.65 17.1 1.17 Allowed 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 123.081 2.521 . . . . 1.0 113.032 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -108.13 -3.31 18.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.946 0.403 . . . . 1.0 110.558 -178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.451 ' HB ' HD11 ' A' 2304 ' ' ILE . 1.0 OUTLIER -115.29 83.36 1.9 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.439 0.638 . . . . 1.0 110.986 -177.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.438 ' O ' HG13 ' A' 2304 ' ' ILE . 14.8 m-20 -68.9 128.78 92.71 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.346 -0.843 . . . . 1.0 109.405 176.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.443 ' HB2' ' OD1' ' A' 2386 ' ' ASP . 40.5 Cg_endo -62.21 -48.55 7.82 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.968 2.445 . . . . 1.0 112.141 -173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 7.3 p -54.88 -44.15 73.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.255 -0.884 . . . . 1.0 111.932 177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -42.6 93.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.936 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.451 HD11 ' HB ' ' A' 2299 ' ' THR . 68.1 mt -61.4 -40.41 86.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.591 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.755 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.1 -40.52 94.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 1.0 111.1 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.16 -34.34 77.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.698 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -64.05 -29.76 70.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.068 0.461 . . . . 1.0 110.625 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -75.04 -31.85 61.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.675 176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.97 -53.05 61.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.438 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' 2310 ' ' LEU . 3.8 mm? -64.45 -29.34 70.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 1.0 110.921 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -67.73 -39.93 90.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.694 -0.765 . . . . 1.0 111.6 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . 0.631 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -69.09 -39.56 78.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.86 0.362 . . . . 1.0 110.549 177.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -58.11 -32.46 68.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.928 -0.578 . . . . 1.0 111.255 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.07 -30.0 68.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.388 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -79.49 -41.68 26.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.027 0.441 . . . . 1.0 110.327 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.32 -47.36 84.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.378 -177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -67.13 -27.27 67.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 1.0 110.696 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.96 -36.28 69.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.051 0.453 . . . . 1.0 110.12 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -66.25 -41.2 90.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.346 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -64.28 -30.77 71.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.633 176.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -70.06 -42.52 72.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.363 -0.835 . . . . 1.0 110.203 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.475 ' HA ' ' OE1' ' A' 2325 ' ' GLN . 95.6 mttt -66.43 -28.13 68.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.148 177.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 2319 ' ' ALA . 64.2 mt -68.66 -24.72 64.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.1 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' 2320 ' ' ALA . 39.5 mt-10 -76.34 -20.01 57.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.471 178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' 2322 ' ' LYS . 51.1 mt-30 -78.91 -20.03 50.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.312 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.527 HD11 ' HA ' ' A' 2412 ' ' ASN . 93.2 mt -80.38 123.61 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.652 -0.704 . . . . 1.0 110.716 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.569 ' HD2' ' HD2' ' A' 2328 ' ' PRO . 54.7 tptt -134.14 117.89 13.82 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.694 177.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.569 ' HD2' ' HD2' ' A' 2327 ' ' LYS . 26.3 Cg_exo -62.4 101.17 0.24 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.589 2.193 . . . . 1.0 111.808 178.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -82.97 75.88 9.83 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.146 0.498 . . . . 1.0 110.231 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -131.01 103.43 6.52 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.011 178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 21.4 pttm -60.84 148.49 82.92 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.433 -0.803 . . . . 1.0 110.536 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.18 91.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.598 2.865 . . . . 1.0 112.858 -174.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -110.84 125.93 54.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.92 -1.037 . . . . 1.0 109.914 175.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.91 106.57 10.99 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 175.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -138.51 30.82 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.636 -0.711 . . . . 1.0 109.908 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 38.1 t70 63.53 65.35 0.75 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.845 . . . . 1.0 110.116 -175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.44 148.66 52.28 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.982 -1.008 . . . . 1.0 110.398 -178.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.2 m -115.49 37.17 3.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.674 0.75 . . . . 1.0 109.036 174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.9 mt -87.22 53.88 2.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.964 -1.016 . . . . 1.0 110.914 -173.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.547 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.3 m120 -99.41 16.51 22.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.598 -0.728 . . . . 1.0 109.882 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.629 ' O ' HG12 ' A' 2345 ' ' ILE . 79.8 t80 -49.55 -53.26 24.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.853 -0.612 . . . . 1.0 111.728 -176.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -59.98 -29.92 68.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 111.058 -177.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' 2347 ' ' GLU . 42.5 mt-10 -78.65 -46.74 18.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.707 178.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' 2340 ' ' ASN . 48.0 mt-30 -56.61 -41.69 77.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.896 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' 2341 ' ' PHE . 30.8 mm -64.75 -41.05 91.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.111 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.79 -52.77 55.11 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.151 -178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -63.99 -42.94 97.04 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.813 -0.355 . . . . 1.0 111.679 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -64.9 -38.85 92.34 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.508 -177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -60.86 -39.98 91.21 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.285 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 95.3 mttt -63.61 -42.37 98.21 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.816 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 55.1 m -57.35 -45.31 84.49 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.307 177.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.43 HD13 HD23 ' A' 2407 ' ' LEU . 62.9 mt -60.44 -58.04 9.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 115.881 -0.599 . . . . 1.0 110.389 174.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.1 -35.06 66.63 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.188 0.44 . . . . 1.0 112.188 -176.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.2 -51.6 12.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.696 0.284 . . . . 1.0 110.845 177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.11 -36.33 83.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 111.466 -177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2404 ' ' THR . 26.2 p -69.54 -41.0 76.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.944 0.402 . . . . 1.0 110.819 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 35.8 t -63.35 -44.46 94.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.905 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.89 -32.72 74.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.262 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 64.7 tp -66.03 -52.45 49.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.725 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.2 p -63.87 -30.4 49.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.081 0.467 . . . . 1.0 110.615 -177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.25 -28.96 47.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.413 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.56 -32.19 67.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.238 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.12 -42.86 99.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.139 0.495 . . . . 1.0 109.849 173.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 40.1 t -64.47 -36.46 84.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.306 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.17 -43.18 82.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.201 176.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.8 -47.41 82.65 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.496 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -56.69 -52.95 62.97 Favored 'General case' 0 C--O 1.222 -0.357 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.183 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 43.2 ttp180 -50.18 -50.55 48.89 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.547 0.529 . . . . 1.0 111.279 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 52.5 mm-40 -62.37 -47.75 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.179 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.405 ' HB3' HG23 ' A' 2376 ' ' VAL . 73.4 mt -71.05 -39.63 72.15 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.464 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.432 HG13 ' CB ' ' A' 2378 ' ' ALA . 55.4 t -67.32 -35.81 74.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.626 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.89 70.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 1.0 110.892 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -83.81 -18.32 38.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.636 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.94 22.44 76.82 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 -175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -80.86 -17.26 51.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.654 0.74 . . . . 1.0 109.675 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 2370 ' ' LEU . 73.7 t -108.8 151.28 11.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.097 -0.956 . . . . 1.0 109.646 178.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -75.28 66.62 2.24 Favored Glycine 0 C--O 1.228 -0.269 0 C-N-CA 121.18 -0.533 . . . . 1.0 112.797 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.432 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -78.39 20.62 0.4 Allowed 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 122.811 0.445 . . . . 1.0 111.973 -176.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.576 HG22 ' H ' ' A' 2381 ' ' ALA . 4.2 mp -118.24 133.23 23.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -51.69 -31.63 41.91 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 123.339 2.692 . . . . 1.0 113.279 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.576 ' H ' HG22 ' A' 2379 ' ' ILE . . . -74.46 -24.2 59.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.032 0.444 . . . . 1.0 110.961 176.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -95.14 4.65 53.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.52 0.676 . . . . 1.0 109.433 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -61.49 -19.02 61.59 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.733 -178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.6 tt -59.02 -44.91 91.77 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.14 178.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -81.38 -52.85 6.85 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.901 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.443 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 17.3 t70 -66.63 -34.69 78.44 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.906 -0.588 . . . . 1.0 112.069 -172.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -57.41 -26.83 57.33 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 121.027 -0.606 . . . . 1.0 112.012 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -75.95 -31.96 59.32 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.193 0.52 . . . . 1.0 109.933 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.426 ' CE2' ' HB2' ' A' 2445 ' ' LYS . 39.5 t90 -81.55 -49.98 9.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.755 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 5.2 p -65.14 -34.82 79.31 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.753 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -67.94 -35.11 77.86 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.024 0.44 . . . . 1.0 109.882 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.36 -36.82 85.19 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 111.249 -0.74 . . . . 1.0 111.249 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 42.9 tp -64.24 -44.39 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.162 -0.31 . . . . 1.0 110.162 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' 2390 ' ' SER . 90.6 mt -59.56 -55.86 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.191 0 CA-C-N 116.332 -0.394 . . . . 1.0 111.078 177.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 4.8 p -56.18 -39.85 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.257 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.621 ' O ' HG13 ' A' 2400 ' ' VAL . . . -71.43 -47.67 54.42 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.679 -0.237 . . . . 1.0 111.433 177.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.42 -43.33 94.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 1.0 111.624 -177.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.7 -27.85 67.17 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.123 0.487 . . . . 1.0 109.765 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 50.2 ttm -71.25 -47.24 58.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.785 177.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' 2396 ' ' ALA . 4.7 m -64.0 -35.27 72.97 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 N-CA-C 110.198 -0.297 . . . . 1.0 110.198 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.631 ' HB2' ' HB1' ' A' 2312 ' ' ALA . . . -61.38 -40.38 94.12 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-N 116.601 -0.272 . . . . 1.0 110.598 178.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.7 -48.5 21.71 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.745 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.32 -51.99 67.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.327 -178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.626 HG21 HG21 ' A' 2356 ' ' THR . 61.7 p -65.93 -31.3 72.15 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.649 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.2 t30 -71.35 -41.97 69.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.853 -0.612 . . . . 1.0 109.878 -179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.1 m120 -69.41 -27.2 65.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.329 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.517 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.0 tp -72.56 -35.45 67.99 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.834 175.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 41.9 t -60.92 -38.81 87.07 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.658 -0.497 . . . . 1.0 109.658 174.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.79 -41.42 97.72 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.879 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.42 -47.24 70.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.78 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.587 ' O ' HG23 ' A' 2415 ' ' VAL . . . -61.41 -44.89 96.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.907 178.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.527 ' HA ' HD11 ' A' 2326 ' ' LEU . 7.9 t30 -53.62 -44.68 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.255 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -69.93 -41.19 74.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.987 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.85 96.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.607 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' 2411 ' ' ALA . 34.9 t -65.62 -27.24 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.407 -178.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -101.76 4.72 40.79 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -172.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 134.44 -46.53 1.04 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.952 -1.118 . . . . 1.0 113.49 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 73.9 m80 -83.46 75.68 9.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.332 0.587 . . . . 1.0 110.978 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -89.29 121.83 31.95 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.129 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.785 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 2.1 m -125.94 91.46 3.39 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.722 -0.844 . . . . 1.0 108.722 178.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.406 ' H ' ' CD ' ' A' 2421 ' ' GLN . 0.9 OUTLIER -58.78 -32.58 69.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.895 -173.68 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.3 -58.34 8.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.976 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.785 ' HG2' ' HB2' ' A' 2420 ' ' SER . 62.2 pttt -68.17 -25.58 65.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.073 0.463 . . . . 1.0 110.664 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . 0.419 HD21 HD12 ' A' 2345 ' ' ILE . 37.4 tp -66.08 -49.29 68.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.283 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 75.9 mt -62.49 -44.43 99.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 23.1 m -54.55 -49.41 70.39 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.708 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.513 ' O ' HG23 ' A' 2431 ' ' VAL . 19.5 m -68.0 -41.3 82.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.629 -0.714 . . . . 1.0 111.237 -176.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.25 90.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.186 0.517 . . . . 1.0 110.93 -176.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.25 -41.21 86.0 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.291 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.18 -43.97 80.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.628 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.554 HG13 HG22 ' A' 2404 ' ' THR . 67.9 t -56.84 -52.27 57.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.827 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.533 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -56.16 -41.96 76.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.095 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.04 -49.95 39.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.523 -0.308 . . . . 1.0 111.57 -177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' 2437 ' ' GLN . 48.4 m -64.13 -40.58 96.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.715 0.293 . . . . 1.0 111.182 -178.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.587 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 21.9 m -74.78 -44.29 50.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.565 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.06 -25.23 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.438 0.637 . . . . 1.0 109.842 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . 0.483 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.1 tt0 -63.6 -33.8 76.41 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 115.212 -0.904 . . . . 1.0 110.712 175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.484 ' HB2' HG11 ' A' 2400 ' ' VAL . 54.1 tp -59.49 -34.04 72.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.994 178.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -67.08 -48.12 69.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.106 175.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' 2444 ' ' VAL . 57.3 t -54.45 -43.13 62.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.33 178.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.32 -52.16 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.483 -0.781 . . . . 1.0 111.436 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.1 t -67.86 -36.83 80.99 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.638 -178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.0 ttmt -62.18 -20.19 63.89 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.72 -179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' 2440 ' ' VAL . 93.9 t -56.27 -42.01 72.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-O 120.659 0.266 . . . . 1.0 111.179 177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.426 ' HB2' ' CE2' ' A' 2389 ' ' TRP . 5.8 mptp? -105.24 -7.21 19.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.636 0.255 . . . . 1.0 111.245 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.494 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -97.47 165.83 11.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.096 0.474 . . . . 1.0 111.405 -177.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -102.38 163.72 12.07 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.675 -0.693 . . . . 1.0 109.301 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' 2448 ' ' GLN . 17.8 mt-30 -80.35 -42.14 23.47 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.62 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.7 t70 -92.1 70.93 5.42 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.553 0.692 . . . . 1.0 110.541 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.619 ' OG ' ' HB3' ' A' 2453 ' ' MET . 1.9 p -134.43 145.83 49.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.05 -0.977 . . . . 1.0 109.266 175.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -71.66 -36.14 70.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.473 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -62.38 -45.28 93.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.226 0.536 . . . . 1.0 110.156 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.619 ' HB3' ' OG ' ' A' 2450 ' ' SER . 34.7 tpp -74.64 -25.29 59.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.566 178.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.47 ' HB2' ' O ' ' A' 2450 ' ' SER . 0.5 OUTLIER -61.06 -43.03 99.5 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.384 0.612 . . . . 1.0 109.638 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -78.31 -35.51 47.7 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.2 -0.909 . . . . 1.0 110.334 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.615 HD23 ' HG ' ' A' 2439 ' ' LEU . 6.0 tt -58.99 -49.6 77.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.539 -0.755 . . . . 1.0 109.699 176.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.65 ' HA ' HD23 ' A' 2439 ' ' LEU . 8.9 tt0 -58.08 -50.64 72.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.244 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.253 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.518 ' O ' HG23 ' A' 2463 ' ' VAL . . . -62.39 -48.64 78.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.811 178.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -63.56 -42.03 99.0 Favored Glycine 0 CA--C 1.511 -0.211 0 C-N-CA 121.184 -0.531 . . . . 1.0 112.402 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 63.0 t30 -63.79 -35.04 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.98 0.419 . . . . 1.0 110.002 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.0 -36.34 83.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.94 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' 2459 ' ' ALA . 12.3 t -59.7 -51.62 70.59 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.271 0.558 . . . . 1.0 109.861 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.533 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -63.3 -40.48 97.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.06 -0.973 . . . . 1.0 110.141 -178.039 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -65.81 -43.95 87.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.067 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.16 -35.79 81.39 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.63 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 45.2 m -66.2 -42.73 88.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.079 176.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.94 -49.22 66.48 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.056 0.455 . . . . 1.0 110.777 172.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.7 t30 -60.09 -44.68 94.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.479 -0.782 . . . . 1.0 110.609 178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.569 HD11 HG23 ' A' 2345 ' ' ILE . 16.6 tp -63.5 -44.22 94.96 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -61.66 -50.54 79.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.465 176.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . 0.66 ' HA ' HE21 ' A' 2475 ' ' GLN . 5.7 tmtm? -55.29 -49.35 72.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.492 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.75 -42.21 83.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.789 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.473 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.54 -37.8 88.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.245 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.831 ' HA ' ' HD2' ' A' 2480 ' ' PHE . 45.4 mt-30 -63.94 -31.16 72.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.801 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -71.49 -27.14 63.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.026 -0.534 . . . . 1.0 111.115 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.97 12.04 31.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.887 0.375 . . . . 1.0 111.894 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -145.27 1.22 0.94 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.651 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.11 76.04 0.25 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.815 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.831 ' HD2' ' HA ' ' A' 2475 ' ' GLN . 40.0 m-85 -102.18 16.42 26.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.122 0.487 . . . . 1.0 111.0 177.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -84.59 95.01 8.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.73 -0.668 . . . . 1.0 109.697 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.5 t70 . . . . . 0 C--O 1.247 0.948 0 O-C-N 124.144 0.903 . . . . 1.0 110.807 -175.088 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.688 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 69.8 mt -70.1 -42.3 79.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.892 0.377 . . . . 1.0 110.449 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.0 143.27 30.56 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 121.275 0.559 . . . . 1.0 110.62 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -79.69 -1.22 11.3 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.612 2.874 . . . . 1.0 114.805 -174.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.3 p90 -114.19 12.54 17.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 112.584 0.587 . . . . 1.0 112.584 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.69 69.89 4.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.245 0.545 . . . . 1.0 111.639 175.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.432 ' O ' HG13 ' A' 2304 ' ' ILE . 7.4 m-20 -79.05 128.32 76.65 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 108.204 -1.036 . . . . 1.0 108.204 172.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.81 -43.11 53.72 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.985 2.457 . . . . 1.0 112.612 -174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 1.8 p -70.43 -37.34 74.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.033 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 99.9 t -68.24 -36.97 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.069 0.461 . . . . 1.0 110.298 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' 2300 ' ' ASP . 80.8 mt -58.96 -48.86 85.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.034 175.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -62.47 -40.16 95.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 1.0 111.476 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -55.14 -48.29 73.89 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.249 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -69.06 -28.55 66.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.032 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -70.71 -38.07 73.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.442 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' 2305 ' ' ALA . 82.0 mt -62.42 -42.47 99.47 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.157 176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.79 -39.71 94.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.834 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.48 -40.45 96.22 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 1.0 112.164 178.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.92 -33.29 71.98 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.987 0.423 . . . . 1.0 110.479 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.439 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -60.96 -35.92 78.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.282 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.71 75.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.291 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.67 -35.95 75.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.072 0.463 . . . . 1.0 110.711 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.55 -46.64 82.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -71.91 -28.18 63.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.908 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.74 -27.76 67.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.969 0.414 . . . . 1.0 110.807 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' 2323 ' ' LEU . . . -71.85 -46.92 56.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.209 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -58.63 -32.57 69.15 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.082 0.467 . . . . 1.0 110.194 176.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.66 -52.07 65.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.425 -0.807 . . . . 1.0 110.924 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' 2326 ' ' LEU . 6.2 ptpp? -72.23 -27.44 62.53 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.624 -0.43 . . . . 1.0 110.577 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' 2319 ' ' ALA . 54.1 mt -63.46 -35.5 80.67 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.137 176.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -73.12 -28.61 62.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.296 . . . . 1.0 111.082 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -70.41 -31.85 69.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.361 0.601 . . . . 1.0 110.078 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 2322 ' ' LYS . 94.9 mt -73.48 134.99 44.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.333 -0.849 . . . . 1.0 110.605 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 54.7 tttp -161.36 125.64 2.03 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 176.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.659 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 6.7 Cg_exo -73.47 84.96 1.32 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.856 2.37 . . . . 1.0 111.915 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -137.59 87.26 2.25 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.015 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . 0.605 ' O ' ' HG2' ' A' 2331 ' ' LYS . . . -99.27 108.8 21.44 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.795 -0.817 . . . . 1.0 108.795 173.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' 2330 ' ' ALA . 12.8 ptmt 60.78 154.8 0.11 Allowed Pre-proline 0 N--CA 1.468 0.446 0 O-C-N 124.442 1.089 . . . . 1.0 111.946 -171.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.84 64.07 3.19 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.856 2.371 . . . . 1.0 111.916 175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 64.2 tttm -75.54 150.14 38.19 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.801 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -63.18 143.31 57.9 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.189 -0.3 . . . . 1.0 110.189 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -76.98 78.96 3.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.178 0.513 . . . . 1.0 111.467 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -137.71 99.86 4.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.703 -0.68 . . . . 1.0 109.824 175.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 48.67 -95.09 0.03 OUTLIER 'General case' 0 C--O 1.233 0.208 0 O-C-N 124.077 0.861 . . . . 1.0 111.865 -177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 15.6 m 59.19 38.18 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.196 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 97.6 mt 61.59 84.87 0.13 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 114.808 -1.087 . . . . 1.0 110.754 -175.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' 2344 ' ' GLN . 23.5 t-20 -85.93 -1.36 57.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.612 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' 2345 ' ' ILE . 70.6 t80 -53.59 -52.44 59.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.91 -1.041 . . . . 1.0 110.908 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.4 -38.31 66.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.832 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.659 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 33.7 mt-10 -69.51 -43.57 72.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.757 -0.201 . . . . 1.0 110.64 178.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' 2340 ' ' ASN . 16.7 mt-30 -58.52 -43.28 89.1 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 121.019 0.438 . . . . 1.0 110.73 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.633 HG23 HD11 ' A' 2470 ' ' LEU . 34.7 mm -64.8 -40.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.307 178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.401 HD13 ' HD3' ' A' 2328 ' ' PRO . 3.3 tt -64.22 -52.31 59.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.642 -177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -62.14 -42.94 99.73 Favored 'General case' 0 CA--C 1.516 -0.354 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.538 -179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.445 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.35 -39.45 89.18 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.415 -0.514 . . . . 1.0 110.657 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.58 -45.08 84.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.379 -0.373 . . . . 1.0 111.285 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' 2347 ' ' GLU . 22.3 ptmt -69.65 -24.5 63.63 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.97 -0.292 . . . . 1.0 110.407 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 73.8 m -65.4 -42.41 92.62 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.4 -0.363 . . . . 1.0 110.104 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' 2348 ' ' ALA . 55.8 mt -63.87 -48.95 83.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.814 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 174.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.62 -37.95 71.42 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.316 0.385 . . . . 1.0 111.556 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.13 -41.86 57.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 1.0 110.918 177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.25 -37.81 81.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.989 -0.551 . . . . 1.0 111.233 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2404 ' ' THR . 19.9 p -69.82 -36.7 75.83 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-O 121.084 0.468 . . . . 1.0 110.342 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 33.2 t -58.84 -45.89 88.99 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.805 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.85 -39.83 90.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.912 -0.586 . . . . 1.0 110.383 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' 2435 ' ' THR . 54.2 tp -65.34 -51.8 58.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.837 -0.62 . . . . 1.0 111.541 -179.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 13.5 p -63.79 -38.8 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 121.005 -0.278 . . . . 1.0 111.022 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . 0.439 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 34.9 mmtp -67.71 -33.56 75.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.067 0.46 . . . . 1.0 110.453 177.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -69.03 -32.1 71.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.32 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -69.22 -43.91 73.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.107 179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.447 ' HA ' HD12 ' A' 2309 ' ' LEU . 0.7 OUTLIER -62.76 -38.75 91.82 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.172 0.51 . . . . 1.0 110.493 177.512 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -71.44 -32.54 68.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.321 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.522 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.47 -46.96 87.29 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' 2371 ' ' VAL . 39.6 mt-30 -57.83 -52.48 65.29 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.347 178.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -48.59 -51.89 25.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.469 0.481 . . . . 1.0 112.195 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.82 -40.82 92.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.091 0.472 . . . . 1.0 110.476 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' 2375 ' ' LYS . 12.9 tp -67.55 -35.48 79.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.917 -177.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 2367 ' ' GLN . 85.0 t -66.1 -47.94 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.833 -0.622 . . . . 1.0 109.974 177.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.01 -33.22 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 1.0 111.202 178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -74.37 -13.54 60.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.078 177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 73.49 34.38 57.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.889 -0.672 . . . . 1.0 112.404 178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.427 ' HB2' ' HG ' ' A' 2370 ' ' LEU . 29.2 mmmt -97.63 -14.2 21.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.007 0.432 . . . . 1.0 110.783 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.529 HG12 ' HG2' ' A' 2445 ' ' LYS . 16.1 m -129.22 -175.66 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.663 -176.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -76.74 96.5 1.17 Allowed Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 121.032 -0.604 . . . . 1.0 112.151 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -91.32 -2.01 57.49 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.452 0.644 . . . . 1.0 110.225 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.565 HG22 ' H ' ' A' 2381 ' ' ALA . 30.1 mm -134.28 127.66 19.01 Favored Pre-proline 0 C--N 1.317 -0.846 0 CA-C-N 114.806 -1.088 . . . . 1.0 109.297 -177.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.67 -23.47 5.57 Favored 'Trans proline' 0 CA--C 1.536 0.604 0 C-N-CA 124.08 3.187 . . . . 1.0 113.957 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.565 ' H ' HG22 ' A' 2379 ' ' ILE . . . -63.16 -25.28 68.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.237 0.542 . . . . 1.0 110.905 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -105.07 20.46 18.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.511 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -71.63 -17.49 62.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.109 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.43 -52.08 67.11 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.635 -0.506 . . . . 1.0 109.635 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -80.05 -50.85 9.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.795 0.331 . . . . 1.0 111.122 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -66.91 -29.94 69.95 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.224 -0.443 . . . . 1.0 111.345 -174.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.29 -32.29 76.42 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.624 -0.798 . . . . 1.0 111.547 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.53 -28.61 61.04 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.316 0.579 . . . . 1.0 109.795 179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.4 t90 -81.14 -53.6 6.25 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.678 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.623 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 44.0 m -62.35 -41.22 98.41 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.487 -178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 71.1 mm-40 -64.04 -35.82 81.99 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 120.832 -0.347 . . . . 1.0 110.742 176.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -64.87 -45.45 92.49 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.636 -0.793 . . . . 1.0 111.244 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 39.8 tp -61.31 -43.08 99.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.059 0.457 . . . . 1.0 110.256 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' 2390 ' ' SER . 66.0 mt -58.38 -48.69 84.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.077 176.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.3 m -62.98 -43.18 99.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.661 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 2400 ' ' VAL . . . -61.37 -38.36 86.72 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.939 178.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.417 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.73 -44.84 92.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.686 -0.233 . . . . 1.0 111.366 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -65.77 -34.42 78.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.099 0.476 . . . . 1.0 110.158 176.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 56.2 ttm -67.17 -49.52 64.42 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.486 -0.779 . . . . 1.0 111.22 178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.574 HG21 HD22 ' A' 2438 ' ' LEU . 13.1 m -65.38 -36.5 77.84 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 120.768 -0.373 . . . . 1.0 110.128 179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.4 -41.07 96.55 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.697 -0.229 . . . . 1.0 110.9 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.5 22.84 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.909 -0.316 . . . . 1.0 110.875 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.05 -50.19 74.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.317 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.697 HG21 HG21 ' A' 2356 ' ' THR . 80.7 p -66.96 -31.22 71.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.876 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 2401 ' ' ALA . 11.3 t-20 -74.77 -38.82 62.07 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.012 0.434 . . . . 1.0 109.859 -178.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -63.69 -34.52 78.04 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.987 -0.552 . . . . 1.0 110.565 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.545 ' HB2' HG21 ' A' 2431 ' ' VAL . 44.0 tp -70.05 -35.04 73.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.137 177.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 76.3 m -61.0 -39.82 91.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.139 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.44 -33.18 73.74 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.632 175.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.1 87.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.998 0.428 . . . . 1.0 109.998 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.29 -43.72 97.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.727 -0.67 . . . . 1.0 110.787 174.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 45.2 t-20 -53.33 -47.89 68.93 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.435 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.13 93.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.958 178.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.28 -45.49 87.82 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.502 -178.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' 2411 ' ' ALA . 42.1 t -59.93 -40.06 81.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 121.13 0.49 . . . . 1.0 110.826 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.406 ' HA ' ' OE1' ' A' 2416 ' ' GLN . 15.8 mm-40 -85.12 13.14 6.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.479 -0.782 . . . . 1.0 111.795 -173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 92.03 17.46 47.33 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.754 -0.736 . . . . 1.0 113.361 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 25.6 m80 -124.52 75.16 1.38 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -108.29 134.48 51.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.276 0.56 . . . . 1.0 111.879 -174.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 39.7 t -138.83 104.84 5.18 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.107 -1.072 . . . . 1.0 108.107 171.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -18.32 64.32 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.828 -0.349 . . . . 1.0 111.493 -177.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -64.49 -58.06 7.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.261 177.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.474 ' HG2' ' HB3' ' A' 2420 ' ' SER . 64.5 pttt -65.24 -32.28 73.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.207 178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 30.1 tp -68.17 -53.64 23.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.061 -176.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.461 ' O ' ' HG3' ' A' 2429 ' ' LYS . 84.6 mt -61.81 -41.95 92.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.757 0.313 . . . . 1.0 110.753 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 30.7 m -61.7 -48.7 79.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.438 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.511 ' O ' HG23 ' A' 2431 ' ' VAL . 35.3 p -73.22 -33.12 65.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.643 -0.253 . . . . 1.0 111.17 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.8 76.23 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.021 0.439 . . . . 1.0 110.553 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' 2425 ' ' ILE . 94.9 mttt -65.42 -47.55 75.88 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.782 -0.644 . . . . 1.0 109.643 176.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -62.09 -41.16 97.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.08 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.654 HG13 HG22 ' A' 2404 ' ' THR . 74.7 t -57.12 -55.84 18.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.407 176.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.695 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -56.01 -47.98 76.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.144 179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.18 -47.68 78.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.872 -177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 16.2 m -69.52 -39.41 77.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.926 0.393 . . . . 1.0 111.036 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.649 HG21 HG22 ' A' 2356 ' ' THR . 17.6 m -72.73 -39.72 66.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.169 0.509 . . . . 1.0 110.635 -178.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.712 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.26 -20.33 65.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.105 0.478 . . . . 1.0 110.164 176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -75.11 -24.9 58.15 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.145 176.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.574 HD22 HG21 ' A' 2400 ' ' VAL . 46.4 tp -59.97 -33.27 71.72 Favored 'General case' 0 C--O 1.232 0.168 0 N-CA-C 109.145 -0.687 . . . . 1.0 109.145 175.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -63.91 -48.65 75.77 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.264 172.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 48.3 t -57.61 -38.68 65.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.606 -0.724 . . . . 1.0 110.901 -177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.28 75.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.991 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.8 t -74.88 -35.42 62.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.659 0.266 . . . . 1.0 110.411 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' 2448 ' ' GLN . 29.1 tptp -51.58 -30.69 21.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.689 -0.687 . . . . 1.0 112.017 179.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 95.9 t -53.99 -43.6 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.445 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.529 ' HG2' HG12 ' A' 2376 ' ' VAL . 4.1 mptp? -104.2 -33.56 8.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.598 -177.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -76.62 141.38 41.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.519 -0.31 . . . . 1.0 111.244 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -82.34 153.54 25.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.027 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.724 ' HG2' ' HE2' ' A' 2443 ' ' LYS . 46.2 mt-30 -64.4 -29.23 70.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.687 0.279 . . . . 1.0 111.488 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -93.42 6.37 48.37 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.0 111.325 -177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' 2454 ' ' LYS . 38.8 t -71.52 138.52 48.96 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . 0.458 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 32.5 mm-40 -66.25 -24.75 66.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.02 0.438 . . . . 1.0 110.62 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.522 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.77 -42.54 95.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.859 173.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.3 tmt? -67.31 -34.29 77.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.03 -0.986 . . . . 1.0 110.139 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' 2450 ' ' SER . 33.0 mmtp -56.08 -52.93 62.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.656 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -63.71 -45.44 89.98 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.287 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 8.4 mt -54.15 -51.82 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.282 -0.872 . . . . 1.0 111.513 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -62.1 -42.47 99.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.745 -178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -63.3 -46.79 85.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.251 -178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -68.18 -41.33 81.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.38 -0.373 . . . . 1.0 111.045 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.469 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.12 -39.96 97.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.937 -0.649 . . . . 1.0 112.134 177.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -58.75 -40.36 83.62 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.336 0.589 . . . . 1.0 109.455 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.52 87.76 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.365 -0.834 . . . . 1.0 111.594 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 2459 ' ' ALA . 21.3 t -62.07 -53.04 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.892 0.377 . . . . 1.0 110.221 178.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.695 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.3 tptp -57.49 -46.63 83.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.257 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . 0.602 ' HD3' ' N ' ' A' 2466 ' ' ALA . 1.5 tmt_? -61.12 -56.14 24.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.724 -0.671 . . . . 1.0 111.121 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . 0.602 ' N ' ' HD3' ' A' 2465 ' ' ARG . . . -51.36 -43.27 61.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.57 -0.741 . . . . 1.0 111.902 175.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 37.2 m -66.26 -42.83 87.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 1.0 110.024 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -58.17 -37.87 75.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.037 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 54.1 t30 -67.7 -40.13 84.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.186 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.633 HD11 HG23 ' A' 2345 ' ' ILE . 33.7 tp -64.75 -43.16 94.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.397 178.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.541 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.1 t -57.4 -49.99 78.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.352 175.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -52.47 -48.34 65.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.846 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.0 -41.28 97.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.922 0.392 . . . . 1.0 110.813 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.488 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -61.34 -36.0 78.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.829 177.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -63.26 -30.73 71.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.543 178.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' 2473 ' ' ALA . 29.4 mmtp -65.08 -18.59 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.447 -0.342 . . . . 1.0 111.408 176.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -97.05 7.05 47.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.848 0.356 . . . . 1.0 111.891 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -137.52 -48.58 0.58 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.288 -0.415 . . . . 1.0 111.808 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.7 101.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 O-C-N 123.721 0.638 . . . . 1.0 111.429 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -108.89 16.96 22.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.586 -0.734 . . . . 1.0 109.915 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.76 59.66 5.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 1.0 111.503 -176.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.637 -0.697 . . . . 1.0 109.741 177.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . 0.464 ' HA3' HD11 ' A' 2379 ' ' ILE . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.006 -0.438 . . . . 1.0 112.006 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . 0.401 ' HA ' ' OD2' ' A' 2300 ' ' ASP . 15.3 tt -179.61 133.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 122.718 0.407 . . . . 1.0 109.926 176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.513 ' HB2' ' HD2' ' A' 2298 ' ' PHE . 4.0 p30 -137.19 151.82 72.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 121.374 0.607 . . . . 1.0 111.358 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -82.42 11.39 3.2 Favored 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 123.29 2.66 . . . . 1.0 112.6 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.513 ' HD2' ' HB2' ' A' 2296 ' ' ASP . 90.0 m-85 -90.8 -66.31 0.94 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.943 0.402 . . . . 1.0 110.802 -176.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 11.6 t -158.99 33.34 0.21 Allowed 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.424 0.631 . . . . 1.0 111.438 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' 2304 ' ' ILE . 11.5 t70 -64.75 126.77 91.61 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.405 -0.816 . . . . 1.0 109.23 174.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.528 ' HA ' HD12 ' A' 2304 ' ' ILE . 12.0 Cg_endo -55.64 -33.28 86.63 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 123.061 2.507 . . . . 1.0 113.328 -175.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 71.0 p -74.96 -37.38 61.95 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.84 -0.344 . . . . 1.0 111.037 -175.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 48.2 t -65.15 -36.16 77.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.168 0.509 . . . . 1.0 109.848 176.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' 2301 ' ' PRO . 67.0 mt -61.68 -49.79 82.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.012 175.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.24 -43.52 87.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.452 179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -56.99 -50.14 73.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.543 -0.299 . . . . 1.0 110.933 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -61.09 -37.6 83.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.948 -178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . 0.452 ' HG3' HD13 ' A' 2394 ' ' ILE . 6.6 mm-40 -67.96 -40.41 83.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.129 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 55.6 mt -63.63 -45.96 87.88 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.655 -0.248 . . . . 1.0 110.911 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -60.91 -37.63 82.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 1.0 110.842 177.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.5 -42.41 97.52 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 1.0 111.853 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.98 87.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.73 0.3 . . . . 1.0 110.452 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.68 92.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.895 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.86 -38.99 73.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.039 -0.528 . . . . 1.0 111.064 179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.82 -44.36 73.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.786 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.4 mt -61.57 -48.73 87.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.782 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -67.06 -25.77 66.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.146 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -71.37 -32.83 68.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.992 0.425 . . . . 1.0 110.461 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.02 65.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.013 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.407 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.76 72.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.617 -0.719 . . . . 1.0 110.5 175.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.435 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.4 ttmm -65.22 -39.71 93.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.219 -0.901 . . . . 1.0 110.633 -179.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -73.11 -30.29 63.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.148 0.499 . . . . 1.0 110.214 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' 2323 ' ' LEU . 42.1 mt -64.83 -28.89 69.87 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.746 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.3 -24.23 54.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.768 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 2321 ' ' LYS . 97.0 mt-30 -74.78 -24.41 58.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.235 -0.439 . . . . 1.0 111.466 -176.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.14 142.34 52.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.102 -175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' 2328 ' ' PRO . 29.6 ttpp -127.27 116.74 21.61 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.146 -0.479 . . . . 1.0 109.784 177.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 2327 ' ' LYS . 24.3 Cg_exo -63.27 123.33 11.96 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.87 2.38 . . . . 1.0 112.337 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -93.39 130.27 39.23 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.033 -0.53 . . . . 1.0 109.986 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -138.81 114.66 10.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.298 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 64.0 pttt -71.19 147.13 93.19 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.438 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' 2333 ' ' LYS . 30.8 Cg_endo -64.81 90.87 0.19 Allowed 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.87 2.38 . . . . 1.0 112.335 -178.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' 2332 ' ' PRO . 21.6 ttpp 174.57 29.45 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.986 -1.007 . . . . 1.0 109.086 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' 2339 ' ' LEU . 2.8 mp0 -76.93 91.15 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.4 -0.818 . . . . 1.0 111.03 -174.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -119.7 57.07 0.92 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.556 178.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 22.5 t70 53.35 74.76 0.29 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.969 -176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -136.67 -148.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.44 -0.8 . . . . 1.0 109.01 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 21.5 m -85.05 24.35 1.1 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.601 0.715 . . . . 1.0 110.359 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 2334 ' ' GLU . 81.0 mt -100.62 146.32 27.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.105 -0.952 . . . . 1.0 109.187 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 13.9 m120 70.63 6.74 5.95 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.84 0.712 . . . . 1.0 110.123 -173.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.522 ' HE1' ' HA ' ' A' 2474 ' ' ALA . 28.6 t80 -59.76 -41.57 91.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.437 -0.801 . . . . 1.0 109.92 176.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' 2415 ' ' VAL . 3.3 mp0 -59.9 -32.7 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.607 -0.724 . . . . 1.0 110.829 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.547 ' O ' ' HG2' ' A' 2347 ' ' GLU . 0.2 OUTLIER -78.85 -32.87 46.21 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.469 -179.485 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 41.7 mt-30 -66.54 -37.64 85.43 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.403 0.621 . . . . 1.0 109.62 177.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.595 HG23 HD21 ' A' 2470 ' ' LEU . 30.7 mm -69.63 -41.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.984 173.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.59 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 49.4 tp -60.33 -50.61 72.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.418 -0.81 . . . . 1.0 111.42 -178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -62.22 -40.19 95.3 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 120.885 -0.326 . . . . 1.0 111.447 -179.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -44.04 74.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 120.533 -0.467 . . . . 1.0 109.938 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -55.95 -44.4 78.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.05 -0.523 . . . . 1.0 111.075 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.59 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 97.8 mttt -63.38 -36.06 82.46 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.717 0.294 . . . . 1.0 111.008 177.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 53.5 m -61.84 -45.83 92.11 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.208 176.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.536 HG23 HG13 ' A' 2463 ' ' VAL . 72.0 mt -61.4 -46.47 96.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.552 0 N-CA-C 109.855 -0.424 . . . . 1.0 109.855 172.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.407 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -53.06 -49.78 65.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.861 0.363 . . . . 1.0 111.532 179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.77 -43.05 72.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.808 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -64.96 -38.47 91.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.275 -0.421 . . . . 1.0 111.368 -178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 25.0 p -72.17 -40.19 68.13 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 120.841 0.353 . . . . 1.0 110.48 -179.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 54.0 m -58.14 -43.06 87.11 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.769 174.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.9 87.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.581 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 53.6 tp -62.39 -50.2 72.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.819 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.9 p -65.52 -33.66 65.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.914 0.387 . . . . 1.0 111.137 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.6 mttm -73.9 -35.52 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 1.0 110.04 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.43 72.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.637 177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.22 97.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.058 0.456 . . . . 1.0 110.332 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 34.1 t -66.82 -38.24 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.142 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.669 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.549 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.92 -48.91 79.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.147 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.513 ' O ' HG23 ' A' 2371 ' ' VAL . 43.2 mt-30 -59.26 -46.0 89.68 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-N 115.91 -0.586 . . . . 1.0 110.308 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 35.6 ttt85 -47.98 -47.69 32.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 123.454 0.471 . . . . 1.0 111.784 -176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.13 -36.64 40.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.849 0.357 . . . . 1.0 111.17 178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.541 ' HG ' HG13 ' A' 2376 ' ' VAL . 14.2 tp -65.4 -34.22 77.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.478 0.656 . . . . 1.0 110.567 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' 2367 ' ' GLN . 69.1 t -72.94 -44.79 56.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.265 -0.88 . . . . 1.0 110.323 177.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.44 -34.12 74.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.954 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -18.78 49.17 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.822 -0.626 . . . . 1.0 110.437 179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 76.34 28.21 60.31 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 1.0 113.108 174.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.451 ' HD3' HD11 ' A' 2370 ' ' LEU . 83.1 tttt -87.3 -13.47 43.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.515 0.674 . . . . 1.0 110.211 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.541 HG13 ' HG ' ' A' 2370 ' ' LEU . 27.2 m -102.9 -169.77 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.563 -0.744 . . . . 1.0 109.943 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.492 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -101.99 60.11 0.57 Allowed Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.522 -0.847 . . . . 1.0 111.579 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.464 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -76.97 53.53 0.95 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.066 0.46 . . . . 1.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.532 HG22 ' H ' ' A' 2381 ' ' ALA . 27.5 mm -152.92 121.68 3.2 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 107.976 -1.12 . . . . 1.0 107.976 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -44.47 -34.47 7.64 Favored 'Trans proline' 0 CA--C 1.534 0.524 0 C-N-CA 123.129 2.553 . . . . 1.0 113.566 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.532 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.43 -33.35 72.84 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.044 0.449 . . . . 1.0 111.301 177.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.23 16.0 22.72 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.207 0.527 . . . . 1.0 110.503 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -64.56 -16.74 63.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.998 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.5 tm? -50.76 -56.45 11.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.57 178.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -80.09 -45.39 18.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 1.0 111.035 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.492 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 14.5 t70 -68.98 -35.95 77.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.616 -174.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.65 -30.5 65.7 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.643 -0.789 . . . . 1.0 112.171 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -77.27 -30.68 54.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.228 0.537 . . . . 1.0 109.828 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 47.5 t90 -78.09 -51.59 10.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.546 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 57.4 m -62.59 -42.76 99.76 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.344 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' 2391 ' ' GLN . 14.4 mm-40 -64.3 -31.03 72.07 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.68 -43.84 73.83 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.693 -0.765 . . . . 1.0 111.483 175.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 47.5 tp -64.79 -42.11 95.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 1.0 110.168 176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.2 mt -61.82 -50.63 79.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.476 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 20.8 p -63.42 -38.3 90.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.701 0.286 . . . . 1.0 110.481 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.527 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.04 -38.2 87.82 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.724 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -65.31 -38.07 89.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.214 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.26 -31.08 65.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.148 0.499 . . . . 1.0 110.118 175.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 53.3 ttp -67.3 -48.88 66.32 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 1.0 110.75 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.64 HG12 ' HA ' ' A' 2435 ' ' THR . 12.2 m -65.04 -36.68 78.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 C-N-CA 120.789 -0.364 . . . . 1.0 110.024 178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.74 99.52 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.474 -0.33 . . . . 1.0 110.598 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.05 -46.58 67.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.581 -0.282 . . . . 1.0 110.71 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.16 -52.04 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.103 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 82.1 p -66.51 -26.68 67.27 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 121.014 0.435 . . . . 1.0 110.614 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -71.36 -39.92 70.96 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.02 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.87 -36.36 81.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.128 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' 2431 ' ' VAL . 3.2 tm? -70.75 -38.7 73.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.894 177.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 33.1 t -54.59 -42.77 71.49 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.699 -0.482 . . . . 1.0 109.699 174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -72.61 -30.87 64.72 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.969 -0.56 . . . . 1.0 111.112 177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . 0.404 ' HB3' HD22 ' A' 2407 ' ' LEU . . . -68.65 -43.22 76.71 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.935 0.398 . . . . 1.0 110.05 179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.13 -44.83 78.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.362 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 36.6 t30 -54.9 -42.5 72.25 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.704 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.78 -44.24 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.714 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.06 -43.36 95.47 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.974 -0.557 . . . . 1.0 111.611 -176.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 2411 ' ' ALA . 48.0 t -64.57 -39.65 86.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.054 0.454 . . . . 1.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -88.31 16.72 5.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.92 -0.582 . . . . 1.0 112.382 -170.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.25 28.44 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.486 -0.864 . . . . 1.0 113.525 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 14.4 m170 -88.46 75.35 8.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.122 0.487 . . . . 1.0 110.261 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.65 104.15 16.65 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.902 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.573 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 31.3 t -126.99 100.03 5.97 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.065 -1.087 . . . . 1.0 108.065 176.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -65.31 -27.67 68.77 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.162 -176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -58.63 -53.9 53.15 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.52 -0.763 . . . . 1.0 110.274 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.573 ' HG2' ' HB3' ' A' 2420 ' ' SER . 63.6 pttt -73.62 -32.85 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.395 -178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 26.1 tp -66.24 -49.24 67.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.638 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.26 -48.26 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.626 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.0 m -58.77 -47.26 85.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.45 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.537 ' O ' HG23 ' A' 2431 ' ' VAL . 8.5 t -64.52 -41.62 96.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.64 -177.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.07 -34.32 77.42 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.256 0.55 . . . . 1.0 110.658 -177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -74.56 -29.41 61.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.857 178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -70.31 -43.1 71.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.233 173.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.686 HG13 HG22 ' A' 2404 ' ' THR . 74.9 t -55.51 -56.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.622 177.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.564 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -57.51 -33.26 67.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.503 -177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -75.95 -53.33 8.56 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.15 -0.22 . . . . 1.0 111.532 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 66.5 m -72.05 -30.68 65.41 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.706 -0.224 . . . . 1.0 111.595 -175.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.64 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.4 m -75.64 -39.21 58.11 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.069 0.461 . . . . 1.0 110.704 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.729 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -66.7 -23.89 66.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.133 0.492 . . . . 1.0 110.241 178.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -71.25 -23.72 62.04 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.472 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.58 ' HB2' HG11 ' A' 2400 ' ' VAL . 55.7 tp -63.12 -32.69 74.13 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.17 -0.678 . . . . 1.0 109.17 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.729 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -66.12 -46.19 78.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.349 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.43 ' O ' HG23 ' A' 2444 ' ' VAL . 45.5 t -58.31 -37.7 64.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.54 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.51 -47.37 84.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.948 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.8 t -66.82 -43.01 84.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.299 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 86.6 tttt -57.63 -21.43 39.53 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.041 -0.527 . . . . 1.0 112.287 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -56.65 -42.45 76.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.794 0.33 . . . . 1.0 110.912 177.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -106.97 -27.67 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.614 -0.267 . . . . 1.0 111.341 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -79.62 156.37 27.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.841 0.353 . . . . 1.0 110.841 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.596 ' HB3' ' OG ' ' A' 2450 ' ' SER . 21.5 t70 -96.29 147.73 23.48 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.396 178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.64 -34.74 76.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.807 -176.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -87.14 -11.22 50.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.91 0.386 . . . . 1.0 111.034 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.596 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 69.4 m -63.69 124.8 22.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.434 -177.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -58.06 -38.02 75.51 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 111.811 0.3 . . . . 1.0 111.811 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.549 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.59 -37.56 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.169 0.509 . . . . 1.0 110.463 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 16.0 tpt -82.08 -28.26 32.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.972 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -68.13 -40.86 82.38 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.7 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 24.6 tpt180 -68.16 -34.81 77.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.093 0.473 . . . . 1.0 109.775 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.624 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 6.4 tt -62.76 -43.05 99.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.471 -0.786 . . . . 1.0 109.38 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.718 ' HA ' HD23 ' A' 2439 ' ' LEU . 34.3 tt0 -57.33 -42.74 82.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.095 176.509 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.57 -36.81 81.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 1.0 111.375 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' 2463 ' ' VAL . . . -70.01 -42.17 73.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.685 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.551 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.04 -38.46 95.44 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 121.062 -0.589 . . . . 1.0 112.113 177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.9 t-20 -58.09 -42.17 85.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.352 0.596 . . . . 1.0 109.532 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.96 93.15 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.71 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.536 HG13 HG23 ' A' 2352 ' ' ILE . 12.3 t -60.33 -50.04 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 121.073 0.464 . . . . 1.0 109.798 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.564 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 14.2 tppt? -58.82 -47.74 83.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.306 -0.861 . . . . 1.0 110.65 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -65.48 -43.49 90.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.997 -0.547 . . . . 1.0 111.437 -176.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.07 89.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.646 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.41 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.9 m -68.97 -40.06 79.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.225 177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -56.28 -49.93 72.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.867 174.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -63.9 -36.98 85.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.655 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.595 HD21 HG23 ' A' 2345 ' ' ILE . 0.8 OUTLIER -63.14 -43.23 98.93 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.784 -0.644 . . . . 1.0 110.05 178.48 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.506 ' O ' ' HG3' ' A' 2475 ' ' GLN . 43.4 t -62.22 -44.97 99.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.326 174.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -56.16 -48.99 75.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.714 -0.675 . . . . 1.0 110.788 177.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -61.95 -37.91 86.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.827 0.346 . . . . 1.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.522 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -57.44 -32.66 67.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.389 -0.369 . . . . 1.0 111.14 176.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' 2471 ' ' VAL . 67.0 mt-30 -68.75 -22.09 64.33 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.893 0.377 . . . . 1.0 110.602 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.511 ' HB2' ' O ' ' A' 2473 ' ' ALA . 57.4 mmtt -69.03 -35.56 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.612 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -95.05 15.11 19.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.894 0.378 . . . . 1.0 111.939 -175.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -151.69 -171.06 3.83 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.489 178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -124.5 95.36 4.5 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.946 0.403 . . . . 1.0 110.467 178.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -111.73 10.26 20.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.762 0.791 . . . . 1.0 109.393 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -91.76 81.97 5.23 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.609 -1.178 . . . . 1.0 110.689 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 34.4 t70 . . . . . 0 C--O 1.243 0.75 0 CA-C-N 115.241 -0.891 . . . . 1.0 109.819 -179.004 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.694 0 N-CA-C 112.083 -0.407 . . . . 1.0 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 5.4 tp -158.88 114.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' 2297 ' ' PRO . 8.0 p-10 -69.16 143.35 93.91 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-O 121.62 0.724 . . . . 1.0 111.336 -175.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 2296 ' ' ASP . 96.8 Cg_endo -87.26 9.4 3.93 Favored 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 123.683 2.922 . . . . 1.0 112.257 177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' 2380 ' ' PRO . 93.1 m-85 -95.37 -42.18 8.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.827 -176.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.404 HG23 ' O ' ' A' 2299 ' ' THR . 11.4 t 48.78 53.18 12.79 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 124.374 1.046 . . . . 1.0 110.788 -178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -55.62 115.25 8.95 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.569 -1.196 . . . . 1.0 110.057 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.686 ' HG3' ' HA ' ' A' 2383 ' ' ALA . 13.1 Cg_endo -57.34 -48.31 18.19 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.702 2.268 . . . . 1.0 112.689 -175.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.521 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.2 OUTLIER -65.57 -33.27 75.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.803 -0.635 . . . . 1.0 111.735 -176.079 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' A' 2306 ' ' GLU . 93.3 t -68.33 -41.18 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.214 0.531 . . . . 1.0 110.122 178.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 62.5 mt -61.73 -36.21 72.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.078 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.769 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -69.88 -48.74 57.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.847 -0.615 . . . . 1.0 112.014 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' 2303 ' ' VAL . 11.0 pt-20 -59.52 -33.81 71.83 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.706 0.289 . . . . 1.0 110.702 -176.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -69.24 -34.54 74.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.787 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -69.46 -29.83 67.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.703 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 69.0 mt -64.77 -38.79 92.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 1.0 110.105 176.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' 2306 ' ' GLU . 9.1 mp -61.76 -38.93 89.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.244 175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.55 -42.97 93.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.881 -0.676 . . . . 1.0 111.965 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.992 0.425 . . . . 1.0 110.562 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.45 ' HB1' ' HE3' ' A' 2361 ' ' LYS . . . -58.89 -42.71 90.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.688 177.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -61.5 -33.02 73.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.846 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.57 70.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.695 178.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.82 -44.57 89.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.345 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.3 -33.3 70.92 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.266 178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.31 -30.04 68.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 1.0 110.984 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -80.51 -42.61 22.19 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.424 ' HA ' HD12 ' A' 2323 ' ' LEU . . . -58.5 -34.12 70.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.169 175.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2325 ' ' GLN . 39.1 ttpt -59.75 -54.18 49.27 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.927 179.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' 2326 ' ' LEU . 61.9 pttt -71.07 -23.66 62.17 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.496 -0.482 . . . . 1.0 110.778 -177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.528 HD11 ' SG ' ' A' 2408 ' ' CYS . 32.5 mt -61.07 -42.2 98.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.025 0.44 . . . . 1.0 110.612 173.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.36 -24.22 54.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.83 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' 2321 ' ' LYS . 26.6 mt-30 -76.24 -16.06 59.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.847 176.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' 2322 ' ' LYS . 64.9 mt -66.05 143.63 57.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.959 0.409 . . . . 1.0 110.665 177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.1 tttp -132.29 108.63 13.62 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.28 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -71.25 124.53 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.396 2.064 . . . . 1.0 111.163 175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.41 132.97 55.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.267 0.556 . . . . 1.0 110.657 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -107.86 121.08 44.01 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.5 -0.773 . . . . 1.0 109.213 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.828 ' HB2' ' HE3' ' A' 2333 ' ' LYS . 31.3 mmmt -61.44 147.07 88.48 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.441 -176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -66.49 87.03 0.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.75 2.3 . . . . 1.0 111.575 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.828 ' HE3' ' HB2' ' A' 2331 ' ' LYS . 87.2 mttt -119.79 146.27 45.84 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.529 -0.759 . . . . 1.0 109.773 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -96.12 19.07 12.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.216 1.008 . . . . 1.0 109.021 173.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -100.81 110.32 22.39 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.369 -1.287 . . . . 1.0 109.717 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -70.22 99.85 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.373 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -113.76 101.79 9.63 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.9 m -81.69 65.54 6.86 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.567 0.698 . . . . 1.0 110.882 -174.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 73.8 mt -117.61 95.73 5.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.949 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.6 m120 -96.71 19.47 12.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.025 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.557 ' O ' HG12 ' A' 2345 ' ' ILE . 62.9 t80 -54.33 -50.26 67.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.369 -0.832 . . . . 1.0 111.87 -177.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.75 -37.77 74.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.72 0.295 . . . . 1.0 111.051 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' 2347 ' ' GLU . 67.2 mt-10 -67.88 -45.93 73.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.544 178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.545 ' HG3' ' O ' ' A' 2340 ' ' ASN . 85.3 mt-30 -61.3 -31.07 70.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.918 179.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.615 HG23 HD11 ' A' 2470 ' ' LEU . 34.9 mm -75.48 -44.48 41.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.369 175.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.461 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 48.5 tp -59.98 -49.34 78.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.604 -0.725 . . . . 1.0 111.309 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.9 pt-20 -57.92 -49.32 77.17 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.547 0.213 . . . . 1.0 111.463 178.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' 2352 ' ' ILE . . . -65.05 -36.58 84.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.953 -175.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.89 97.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.485 176.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.461 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.7 mttt -64.41 -36.98 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.525 177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 50.6 m -60.66 -46.07 91.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.75 177.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' 2348 ' ' ALA . 42.7 mt -65.52 -45.89 91.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.378 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.244 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.99 -45.82 71.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.998 0.428 . . . . 1.0 111.385 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.81 -43.51 65.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.214 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.83 89.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.374 -177.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 19.7 p -68.96 -44.61 72.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.924 0.392 . . . . 1.0 111.208 -177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.7 m -58.55 -36.12 73.41 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.436 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -73.53 -41.4 63.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.574 177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.406 ' CD2' HG22 ' A' 2435 ' ' THR . 56.2 tp -56.63 -52.49 64.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.851 -177.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.0 p -63.54 -32.69 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.875 0.369 . . . . 1.0 111.216 -176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . 0.45 ' HE3' ' HB1' ' A' 2313 ' ' ALA . 99.0 mttt -78.27 -36.16 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.353 . . . . 1.0 110.691 178.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.23 -37.92 88.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.3 176.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -62.81 -37.62 87.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.657 176.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 23.1 t -64.09 -43.59 94.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.148 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -66.96 -40.84 87.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 1.0 110.37 177.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.12 78.6 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.628 176.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.63 ' O ' HG23 ' A' 2371 ' ' VAL . 49.0 mt-30 -56.89 -54.93 40.91 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.095 174.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -61.31 -37.87 84.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 1.0 111.632 -171.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 80.9 mm-40 -60.92 -48.27 82.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.292 0.568 . . . . 1.0 109.798 175.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.517 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 57.8 tp -63.57 -32.84 74.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.616 178.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' 2367 ' ' GLN . 75.7 t -67.14 -42.99 88.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.424 -0.807 . . . . 1.0 110.401 176.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.65 87.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.773 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' 2369 ' ' GLU . 90.5 mt-30 -71.23 -22.53 61.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.468 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.44 27.1 70.3 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.946 -0.57 . . . . 1.0 113.135 175.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -95.48 -19.8 19.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.0 110.042 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.517 ' HB ' ' HG ' ' A' 2370 ' ' LEU . 7.6 p -93.2 163.33 2.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.718 -0.674 . . . . 1.0 109.232 177.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' 2379 ' ' ILE . . . -75.47 50.19 2.43 Favored Glycine 0 C--O 1.227 -0.291 0 C-N-CA 121.306 -0.473 . . . . 1.0 113.075 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.613 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.57 21.32 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.519 0.676 . . . . 1.0 110.65 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.483 ' H ' ' C ' ' A' 2377 ' ' GLY . 46.3 mm -118.34 120.26 32.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 114.906 -1.043 . . . . 1.0 109.357 -177.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 12.1 Cg_exo -36.74 -42.19 0.73 Allowed 'Trans proline' 0 CA--C 1.537 0.658 0 C-N-CA 124.197 3.265 . . . . 1.0 114.123 172.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.469 ' H ' HG22 ' A' 2379 ' ' ILE . . . -75.66 5.72 5.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 112.259 0.466 . . . . 1.0 112.259 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -138.35 26.85 2.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.72 -0.844 . . . . 1.0 108.72 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.686 ' HA ' ' HG3' ' A' 2301 ' ' PRO . . . -71.11 -19.7 62.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.175 -0.921 . . . . 1.0 111.747 -174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 2384 ' ' LEU . 1.2 tm? -66.97 -49.02 66.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . 0.407 ' HA ' HE21 ' A' 2388 ' ' GLN . 31.0 t70 -65.66 -49.78 67.36 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.178 -0.465 . . . . 1.0 111.212 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.492 ' OD1' ' HB2' ' A' 2301 ' ' PRO . 10.3 t70 -66.92 -36.17 81.64 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.879 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -55.53 -32.81 58.4 Favored Glycine 0 C--O 1.224 -0.514 0 C-N-CA 120.785 -0.722 . . . . 1.0 112.105 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' 2385 ' ' ASP . 47.9 mt-30 -75.46 -27.72 58.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.53 0.681 . . . . 1.0 109.886 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.471 ' CZ3' HG21 ' A' 2376 ' ' VAL . 35.6 t90 -81.67 -52.72 6.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.348 -0.842 . . . . 1.0 110.326 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.769 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 58.4 m -66.69 -43.59 83.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 1.0 112.684 -175.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -63.31 -37.4 87.1 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 118.206 0.457 . . . . 1.0 110.792 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -68.06 -41.33 87.43 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.663 -0.78 . . . . 1.0 111.469 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 46.9 tp -61.3 -44.24 97.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.989 0.423 . . . . 1.0 110.462 177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' 2305 ' ' ALA . 81.5 mt -60.0 -47.94 89.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.732 177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 45.2 t -61.91 -41.39 97.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.389 179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.546 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.93 -39.14 88.29 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.825 178.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -63.39 -41.89 98.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.224 178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -71.82 -27.07 62.67 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.674 -0.411 . . . . 1.0 110.283 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.3 ttt -70.84 -50.16 38.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.387 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.558 ' CG1' ' HA ' ' A' 2435 ' ' THR . 12.1 m -63.38 -37.43 79.49 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.298 0 N-CA-C 110.078 -0.341 . . . . 1.0 110.078 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.474 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.3 -44.1 97.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.627 177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -70.26 -45.74 65.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.509 -0.314 . . . . 1.0 110.961 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -61.38 -52.37 64.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 1.0 111.189 -179.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2356 ' ' THR . 69.7 p -63.04 -31.91 73.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.746 -178.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' 2401 ' ' ALA . 0.2 OUTLIER -72.35 -36.78 68.87 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 109.681 -0.488 . . . . 1.0 109.681 -178.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -66.53 -34.26 77.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.869 0.366 . . . . 1.0 110.461 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.593 ' HB2' HG21 ' A' 2431 ' ' VAL . 42.1 tp -68.32 -33.86 75.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.115 176.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.528 ' SG ' HD11 ' A' 2323 ' ' LEU . 79.3 m -60.13 -35.68 75.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.204 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -80.32 -30.09 38.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.949 -0.568 . . . . 1.0 111.247 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -68.45 -42.59 78.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.131 0.491 . . . . 1.0 109.995 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' 2415 ' ' VAL . . . -67.77 -37.31 81.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.282 175.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.523 ' O ' ' HG2' ' A' 2416 ' ' GLN . 26.2 t-20 -51.92 -50.77 60.46 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.536 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -62.35 -39.02 91.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.946 -0.57 . . . . 1.0 111.188 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . 0.515 ' HA ' ' HB2' ' A' 2419 ' ' ALA . . . -61.21 -46.17 91.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.207 -179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' 2411 ' ' ALA . 21.4 t -63.21 -35.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.174 0.511 . . . . 1.0 110.709 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' 2412 ' ' ASN . 82.5 mm-40 -83.1 4.07 27.89 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.162 -173.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.77 10.77 52.18 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.481 -0.866 . . . . 1.0 113.715 173.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -130.4 77.3 1.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.193 0.52 . . . . 1.0 110.015 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' 2414 ' ' ALA . . . -99.24 141.82 31.52 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.244 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.565 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 13.5 m -127.07 97.92 5.12 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.503 -0.925 . . . . 1.0 108.503 175.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.84 -29.67 70.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.394 -172.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -61.38 -49.33 77.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.123 0.487 . . . . 1.0 110.411 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' A' 2420 ' ' SER . 32.7 mtmt -72.3 -40.08 67.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.866 -0.606 . . . . 1.0 109.953 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 36.3 tp -58.56 -49.96 75.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.346 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.502 HG23 HG13 ' A' 2471 ' ' VAL . 71.9 mt -60.59 -50.96 78.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.75 0.31 . . . . 1.0 110.677 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 21.3 m -60.22 -42.92 96.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.371 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.466 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -65.13 -41.57 94.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.51 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.85 -34.66 78.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.186 0.517 . . . . 1.0 110.506 -178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' 2425 ' ' ILE . 28.9 mtpp -68.49 -42.13 79.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.591 -0.731 . . . . 1.0 110.143 178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -63.76 -42.43 97.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.655 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.607 HG13 HG22 ' A' 2404 ' ' THR . 61.1 t -59.12 -54.28 36.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.53 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.439 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -56.17 -43.31 78.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.101 -0.499 . . . . 1.0 111.161 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.32 -46.68 72.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.509 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 25.3 p -70.65 -42.55 70.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.927 0.394 . . . . 1.0 111.181 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.558 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 9.2 m -70.16 -39.58 75.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.985 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.574 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.32 -24.44 64.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.427 -0.509 . . . . 1.0 109.912 176.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.34 -23.34 59.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.077 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.54 HD22 HG21 ' A' 2400 ' ' VAL . 59.5 tp -58.94 -33.47 70.64 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 173.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.591 HD21 ' HA3' ' A' 2460 ' ' GLY . 7.1 mp -67.64 -44.34 78.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.429 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 49.5 t -58.16 -36.04 55.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.695 -179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.26 -53.39 58.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.719 176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -68.71 -32.11 71.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.583 0.23 . . . . 1.0 110.622 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -51.84 -31.29 27.03 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.285 0.634 . . . . 1.0 112.177 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 61.4 t -57.47 -44.92 85.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 N-CA-C 111.839 0.311 . . . . 1.0 111.839 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -105.77 -28.33 10.73 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.875 0.324 . . . . 1.0 111.875 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.466 ' HB1' ' HG2' ' A' 2453 ' ' MET . . . -98.82 129.92 45.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.848 0.356 . . . . 1.0 111.654 -174.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.96 112.3 18.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.771 176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.748 ' HA ' ' CB ' ' A' 2453 ' ' MET . 56.1 mt-30 -75.04 4.2 7.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.974 -174.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 32.5 t70 -85.99 -6.47 59.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.322 0.582 . . . . 1.0 109.967 172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.538 ' HB3' ' SD ' ' A' 2453 ' ' MET . 10.2 t -85.59 164.12 17.94 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.047 178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -56.54 -54.31 47.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.679 0.622 . . . . 1.0 112.679 -172.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.514 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -68.09 -35.9 78.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.091 0.472 . . . . 1.0 111.47 -175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.748 ' CB ' ' HA ' ' A' 2448 ' ' GLN . 2.0 mpt? -79.57 -22.92 43.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.245 -175.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -65.24 -38.21 89.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.299 176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -71.87 -35.66 69.85 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.011 -0.995 . . . . 1.0 110.153 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.548 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 2.5 tt -57.54 -44.71 85.37 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.558 -0.746 . . . . 1.0 109.194 176.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.489 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.87 -45.35 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.54 97.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.508 . . . . 1.0 111.483 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.39 93.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 1.0 111.005 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.591 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.8 -40.54 95.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.798 -0.715 . . . . 1.0 111.971 177.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -60.31 -37.24 79.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.021 0.438 . . . . 1.0 109.819 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.22 89.58 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.793 -0.64 . . . . 1.0 111.208 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 11.7 t -63.24 -51.86 65.91 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-O 120.986 0.422 . . . . 1.0 110.143 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 25.6 tptp -58.66 -46.3 87.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.609 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.7 ttm180 -66.14 -43.02 88.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.376 -0.374 . . . . 1.0 111.282 -178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.44 81.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.83 0.348 . . . . 1.0 110.521 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.439 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 35.5 m -70.08 -43.77 70.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.199 176.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -54.97 -44.23 74.23 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.065 0.46 . . . . 1.0 110.306 173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 51.6 t30 -62.64 -43.24 99.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.551 -0.75 . . . . 1.0 110.669 178.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.615 HD11 HG23 ' A' 2345 ' ' ILE . 24.5 tp -64.06 -41.66 97.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.408 179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.587 ' O ' ' HG3' ' A' 2475 ' ' GLN . 47.3 t -59.01 -48.4 86.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.363 175.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' 2476 ' ' LYS . 1.5 tmtp? -55.11 -50.02 70.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.227 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.45 79.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.923 -178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.497 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.98 -37.42 87.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.253 178.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' 2471 ' ' VAL . 95.3 mt-30 -62.19 -30.24 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.006 0.431 . . . . 1.0 110.758 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' 2472 ' ' LYS . 28.3 mtpp -67.47 -38.47 84.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.712 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.15 2.36 52.28 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.202 -0.453 . . . . 1.0 112.057 -174.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -128.99 -0.42 5.26 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.483 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 54.8 77.38 0.21 Allowed 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.779 0.675 . . . . 1.0 111.806 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' A' 2475 ' ' GLN . 39.0 m-85 -93.87 71.04 4.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.0 110.973 177.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.13 93.17 2.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.466 -0.788 . . . . 1.0 109.217 173.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 15.1 t70 . . . . . 0 C--O 1.252 1.225 0 CA-C-N 114.939 -1.028 . . . . 1.0 110.629 -174.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.918 0 N-CA-C 111.789 -0.525 . . . . 1.0 111.789 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 56.2 mt -90.46 82.08 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 175.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.531 ' O ' ' HB3' ' A' 2380 ' ' PRO . 15.3 m-20 -111.41 145.92 33.55 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.991 0.424 . . . . 1.0 110.681 -177.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -69.91 -8.42 23.55 Favored 'Trans proline' 0 C--N 1.334 -0.201 0 C-N-CA 123.702 2.935 . . . . 1.0 113.819 -171.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 50.3 p90 -106.04 -2.47 22.72 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.215 -178.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.6 p -109.14 76.5 1.01 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.184 0.516 . . . . 1.0 111.187 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 7.2 m-20 -69.71 117.14 50.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.575 176.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -59.41 -57.11 0.98 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.919 2.413 . . . . 1.0 112.158 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 2378 ' ' ALA . 7.4 t -55.13 -37.66 67.21 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.523 -0.762 . . . . 1.0 111.716 177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.586 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 69.1 t -69.63 -36.26 69.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 120.814 0.34 . . . . 1.0 110.857 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' 2300 ' ' ASP . 75.4 mt -63.98 -45.23 97.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.667 -0.494 . . . . 1.0 109.667 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -55.84 -39.0 70.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.808 176.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.526 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.5 tt0 -56.4 -53.05 61.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.377 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 4.8 p30 -69.78 -28.83 66.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.007 0.432 . . . . 1.0 110.303 -176.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 2304 ' ' ILE . 14.1 mm-40 -64.28 -39.51 94.08 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.51 173.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' 2305 ' ' ALA . 71.4 mt -60.82 -44.78 96.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.543 177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.1 mp -64.06 -35.95 82.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.722 177.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.0 -41.92 98.42 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.92 -0.657 . . . . 1.0 111.836 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.19 -38.56 82.12 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.935 0.398 . . . . 1.0 110.509 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -57.52 -37.88 73.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.89 -0.595 . . . . 1.0 111.237 179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -56.39 -38.12 71.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.096 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -73.01 -41.07 64.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.793 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.39 -46.1 91.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.129 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.433 ' HG2' ' CB ' ' A' 2357 ' ' SER . 23.7 mt-10 -67.32 -28.28 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 1.0 110.671 -179.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -70.56 -35.17 72.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.112 0.482 . . . . 1.0 110.425 176.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.486 ' O ' HD13 ' A' 2323 ' ' LEU . . . -66.17 -40.11 90.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.001 176.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -63.2 -28.37 70.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 1.0 110.83 176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' 2325 ' ' GLN . 23.5 ttmm -69.37 -41.65 76.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.622 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 64.2 mttm -62.53 -38.13 88.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.321 0.582 . . . . 1.0 109.798 178.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.566 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 8.6 mp -60.82 -31.97 71.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.306 -0.861 . . . . 1.0 111.499 176.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -76.78 -19.41 57.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.019 0.438 . . . . 1.0 110.84 177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2321 ' ' LYS . 23.7 mt-30 -81.36 -10.05 59.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.599 0.714 . . . . 1.0 109.833 178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.11 138.97 31.56 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.164 -0.926 . . . . 1.0 109.222 178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' 2329 ' ' ARG . 8.2 tmtm? -95.63 117.25 66.59 Favored Pre-proline 0 C--N 1.312 -1.044 0 CA-C-N 116.078 -0.51 . . . . 1.0 109.678 -177.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.586 ' O ' ' HB2' ' A' 2329 ' ' ARG . 2.7 Cg_exo -74.24 63.57 5.27 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.085 2.523 . . . . 1.0 112.715 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' 2328 ' ' PRO . 27.8 tpt180 164.0 154.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.274 0.984 . . . . 1.0 108.998 177.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -72.95 137.44 45.51 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.606 -0.516 . . . . 1.0 109.606 171.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.26 150.92 61.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 120.773 0.32 . . . . 1.0 111.279 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -64.35 91.68 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 123.287 2.658 . . . . 1.0 112.36 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -122.79 32.24 5.79 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.822 176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 58.78 28.64 17.65 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.497 -0.774 . . . . 1.0 110.811 -174.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -111.36 82.42 1.6 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.365 -0.834 . . . . 1.0 110.229 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -81.14 84.62 6.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 1.0 109.646 178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -92.83 146.08 23.91 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.334 -0.848 . . . . 1.0 111.052 -176.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 24.2 m -86.43 32.44 0.64 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.588 0.709 . . . . 1.0 109.956 176.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 86.8 mt -98.68 89.31 4.32 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.092 -0.958 . . . . 1.0 109.999 -178.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' 2344 ' ' GLN . 3.6 t-20 -98.33 0.05 44.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.65 0.738 . . . . 1.0 109.221 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.545 ' O ' HG12 ' A' 2345 ' ' ILE . 37.5 t80 -58.73 -55.07 39.84 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.778 -1.101 . . . . 1.0 111.384 -178.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.458 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 1.8 mp0 -53.67 -38.07 63.82 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.579 . . . . 1.0 110.874 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' 2347 ' ' GLU . 39.5 mt-10 -70.73 -44.91 65.85 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' 2340 ' ' ASN . 9.8 mt-30 -61.32 -38.56 87.3 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.451 0.47 . . . . 1.0 110.899 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.564 HG23 HD11 ' A' 2470 ' ' LEU . 34.5 mm -66.09 -44.18 91.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.75 -51.17 61.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.16 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.6 pt-20 -55.47 -47.83 75.48 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.928 -0.309 . . . . 1.0 111.366 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 2470 ' ' LEU . . . -65.98 -41.29 91.34 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.743 -176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.92 -41.73 99.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.664 176.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.566 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 63.6 mtpt -65.07 -35.52 81.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.569 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 61.7 m -61.93 -46.68 88.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.447 175.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.668 HG23 HG13 ' A' 2463 ' ' VAL . 57.2 mt -64.54 -46.5 92.46 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.462 176.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -58.1 -38.56 76.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.9 0.381 . . . . 1.0 111.439 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.14 -42.27 56.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 1.0 111.064 177.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.84 -37.35 76.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.667 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2404 ' ' THR . 12.4 p -67.6 -44.47 78.01 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.991 0.424 . . . . 1.0 111.309 -177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . 0.433 ' CB ' ' HG2' ' A' 2317 ' ' GLU . 6.8 p -66.69 -24.91 66.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.869 179.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -80.57 -37.09 31.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.018 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.27 -48.62 80.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.736 -0.666 . . . . 1.0 111.447 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' 2309 ' ' LEU . 11.8 p -64.21 -32.37 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.155 -177.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -77.37 -31.62 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.05 0.452 . . . . 1.0 110.353 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -68.01 -38.68 82.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.127 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -63.21 -36.82 84.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.534 176.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.526 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 13.4 t -64.48 -39.3 93.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.379 178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -73.48 -33.7 64.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.422 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.416 ' O ' HD23 ' A' 2370 ' ' LEU . . . -57.5 -41.73 81.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.263 175.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.548 ' O ' HG23 ' A' 2371 ' ' VAL . 51.0 mt-30 -51.2 -53.85 31.04 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.388 175.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -55.42 -40.34 71.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.098 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.789 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 14.8 mm-40 -64.42 -47.27 79.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.032 0.444 . . . . 1.0 110.439 178.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.581 HD12 ' HB2' ' A' 2375 ' ' LYS . 4.3 mm? -63.51 -35.64 81.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.837 177.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.682 HG13 ' HB1' ' A' 2378 ' ' ALA . 78.0 t -63.55 -49.75 81.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.701 175.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.07 93.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.933 0.397 . . . . 1.0 111.202 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -74.37 -17.02 60.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.905 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 68.74 31.71 73.45 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 121.227 -0.511 . . . . 1.0 112.312 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.581 ' HB2' HD12 ' A' 2370 ' ' LEU . 68.0 mttm -91.91 -8.07 47.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.185 0.517 . . . . 1.0 110.244 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.53 HG13 ' HB3' ' A' 2370 ' ' LEU . 28.5 m -117.62 -176.33 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.629 176.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.901 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -70.0 -57.94 6.61 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.352 -0.928 . . . . 1.0 111.348 177.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.682 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 62.1 10.58 3.79 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.444 0.698 . . . . 1.0 112.688 174.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.489 ' HB ' ' HB3' ' A' 2382 ' ' ASN . 20.4 mm -143.04 130.02 10.74 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.285 -170.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.531 ' HB3' ' O ' ' A' 2296 ' ' ASP . 80.8 Cg_exo -46.61 -46.8 16.98 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.474 2.782 . . . . 1.0 113.399 172.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.435 ' H ' HG22 ' A' 2379 ' ' ILE . . . -72.73 -11.94 60.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.855 0.36 . . . . 1.0 111.374 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . 0.489 ' HB3' ' HB ' ' A' 2379 ' ' ILE . 62.1 t30 -117.72 32.45 6.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.888 0.852 . . . . 1.0 108.794 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -80.26 -16.51 54.55 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 114.825 -1.08 . . . . 1.0 112.156 -174.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -54.52 -48.14 72.3 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.784 -0.45 . . . . 1.0 109.784 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -80.42 -55.17 5.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.409 -0.36 . . . . 1.0 111.415 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.901 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 11.3 t70 -64.82 -36.49 84.5 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.514 -0.312 . . . . 1.0 111.719 -174.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -60.85 -26.03 64.7 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.181 -0.533 . . . . 1.0 112.407 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -82.4 -34.56 28.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.322 0.582 . . . . 1.0 109.453 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 51.7 t90 -70.06 -47.19 63.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.467 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.681 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 10.8 p -66.2 -47.22 74.6 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.966 -0.561 . . . . 1.0 111.449 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -64.81 -34.23 77.87 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 121.079 -0.248 . . . . 1.0 110.892 178.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.16 99.08 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.561 -0.828 . . . . 1.0 111.191 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.5 tp -65.18 -42.89 93.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.32 -0.44 . . . . 1.0 110.22 176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' 2390 ' ' SER . 74.5 mt -59.41 -47.97 88.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.087 177.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 19.9 m -61.71 -42.41 98.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.525 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.595 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.75 -36.93 84.65 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.75 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -63.5 -44.88 93.03 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.568 0.223 . . . . 1.0 111.248 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -37.73 86.62 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.343 0.592 . . . . 1.0 109.908 175.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' 2434 ' ' SER . 26.5 ttt -64.03 -48.79 74.91 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.453 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.709 HG12 ' HA ' ' A' 2435 ' ' THR . 7.3 m -67.69 -36.27 75.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.794 -0.363 . . . . 1.0 110.22 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.85 95.7 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.581 -0.281 . . . . 1.0 110.253 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -71.63 -46.7 58.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' 2431 ' ' VAL . . . -61.41 -48.92 79.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.332 -177.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.687 HG21 HG21 ' A' 2356 ' ' THR . 79.4 p -69.81 -27.68 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.956 0.408 . . . . 1.0 110.643 -177.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . . . . . . . . . 63.2 t30 -71.08 -37.86 72.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.253 0.549 . . . . 1.0 109.698 177.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -62.47 -29.82 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.316 176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.588 ' HB2' HG21 ' A' 2431 ' ' VAL . 40.6 tp -73.22 -37.42 66.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.183 177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 14.2 t -57.76 -40.95 80.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.014 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -68.11 -40.01 82.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.918 177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.86 73.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 1.0 111.161 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.582 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.86 -42.36 99.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.723 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -54.19 -47.14 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.689 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.6 93.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.172 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.7 -47.51 84.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.689 -176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 2411 ' ' ALA . 21.2 t -59.08 -39.78 79.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.228 0.537 . . . . 1.0 110.723 -179.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -77.69 -7.47 56.51 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 1.0 112.036 -173.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 118.79 -10.78 12.2 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.413 -0.899 . . . . 1.0 113.046 177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -84.67 88.94 7.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.159 0.504 . . . . 1.0 110.477 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -98.01 104.81 16.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.684 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 51.0 m -125.11 84.94 2.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.804 -0.634 . . . . 1.0 109.377 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.546 ' OE1' ' HA ' ' A' 2475 ' ' GLN . 2.9 tt0 -55.82 -49.5 73.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.461 -0.79 . . . . 1.0 111.459 -175.551 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.72 -52.8 45.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.744 -0.662 . . . . 1.0 112.225 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 15.7 pttp -76.93 -29.76 55.79 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.797 -0.361 . . . . 1.0 110.567 -177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 63.0 tp -64.47 -50.25 68.23 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.365 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.34 -46.06 89.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.341 177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 45.7 m -59.46 -47.33 85.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.762 -0.654 . . . . 1.0 110.97 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.631 ' O ' HG23 ' A' 2431 ' ' VAL . 25.3 p -68.39 -34.85 76.77 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 121.17 -0.212 . . . . 1.0 111.378 -179.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -68.76 -37.54 79.44 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.067 0.46 . . . . 1.0 110.905 -175.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.28 -33.5 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.109 178.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.16 -42.78 83.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.423 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' 2427 ' ' SER . 94.4 t -55.61 -53.58 35.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.348 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.512 ' HB1' ' HD3' ' A' 2464 ' ' LYS . . . -55.63 -48.94 74.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.196 178.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -64.51 -47.28 79.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.281 -0.418 . . . . 1.0 111.828 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' A' 2399 ' ' MET . 44.2 m -67.82 -41.04 83.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 1.0 111.087 -177.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.709 ' HA ' HG12 ' A' 2400 ' ' VAL . 21.5 m -71.67 -40.64 69.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.069 0.461 . . . . 1.0 111.121 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.57 -25.4 67.96 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.078 0.466 . . . . 1.0 110.332 178.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -69.99 -25.21 63.5 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.282 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.596 ' HB2' HG11 ' A' 2400 ' ' VAL . 60.9 tp -61.38 -35.41 77.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 175.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.3 mp -64.57 -47.35 79.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.834 -0.621 . . . . 1.0 110.401 173.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.439 ' O ' HG23 ' A' 2444 ' ' VAL . 46.8 t -58.01 -38.23 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.417 -0.811 . . . . 1.0 110.933 -177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.37 79.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.111 -0.495 . . . . 1.0 111.064 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.5 t -76.33 -37.33 57.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.754 0.311 . . . . 1.0 110.236 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 63.3 tttp -58.97 -22.6 60.62 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.206 -179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' 2440 ' ' VAL . 65.0 t -52.82 -48.04 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.764 0.316 . . . . 1.0 111.261 179.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -100.43 -2.42 33.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.616 -0.266 . . . . 1.0 111.591 -178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -111.11 168.39 9.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.928 0.394 . . . . 1.0 111.593 -174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -116.2 176.17 5.22 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.038 -0.727 . . . . 1.0 109.038 173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -78.21 -17.37 56.85 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.722 0.296 . . . . 1.0 110.516 179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.56 -9.19 59.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.784 -177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' 2453 ' ' MET . 14.9 m -70.34 130.66 42.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.711 0.291 . . . . 1.0 110.409 178.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.09 -41.4 98.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 1.0 110.757 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.789 ' HB2' ' HG3' ' A' 2369 ' ' GLU . . . -61.77 -29.94 70.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.863 176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.401 ' HB3' ' O ' ' A' 2450 ' ' SER . 38.4 tpp -70.38 -30.71 67.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.21 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -67.59 -38.47 84.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.0 110.01 175.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -64.0 -44.6 92.16 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.793 -0.64 . . . . 1.0 109.553 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.09 -54.74 37.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.044 -0.98 . . . . 1.0 111.759 177.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' 2461 ' ' ASN . 23.2 tm0? -59.95 -36.26 76.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.135 -173.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.499 -0.319 . . . . 1.0 111.124 179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.39 76.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.025 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.525 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.89 -34.27 88.13 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.834 -0.698 . . . . 1.0 111.722 176.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' A' 2457 ' ' GLN . 14.5 t-20 -64.24 -38.33 90.66 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 177.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.16 98.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.335 -0.848 . . . . 1.0 111.436 179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.668 HG13 HG23 ' A' 2352 ' ' ILE . 5.1 t -61.0 -51.05 77.67 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 CA-C-O 120.964 0.412 . . . . 1.0 109.949 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.512 ' HD3' ' HB1' ' A' 2432 ' ' ALA . 26.4 tptp -61.85 -43.99 97.74 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.938 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -69.18 -42.58 75.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.311 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.75 71.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.655 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.401 ' O ' HG23 ' A' 2471 ' ' VAL . 49.0 m -69.93 -44.96 68.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.07 -0.345 . . . . 1.0 110.07 175.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.11 -46.02 82.95 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.97 0.414 . . . . 1.0 110.709 174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.5 t30 -61.3 -40.51 94.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.349 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.564 HD11 HG23 ' A' 2345 ' ' ILE . 24.7 tp -63.08 -42.23 99.59 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.859 -0.609 . . . . 1.0 110.512 178.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' 2475 ' ' GLN . 55.5 t -57.9 -52.12 61.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.367 175.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . 0.458 ' HD3' ' O ' ' A' 2472 ' ' LYS . 6.6 tmtm? -56.29 -46.77 79.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.722 177.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.79 77.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.892 0.377 . . . . 1.0 110.934 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.536 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -65.77 -36.4 83.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.499 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.546 ' HA ' ' OE1' ' A' 2421 ' ' GLN . 93.1 mt-30 -63.79 -26.31 68.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.481 177.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -70.57 -21.61 62.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.812 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' 2341 ' ' PHE . . . -84.62 2.07 43.21 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 121.624 0.726 . . . . 1.0 110.125 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -119.51 -169.84 1.83 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.732 -1.122 . . . . 1.0 110.017 175.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.38 32.43 1.89 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -175.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 19.1 p90 -120.51 19.83 11.93 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.662 -0.415 . . . . 1.0 111.71 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -96.59 45.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.917 0.865 . . . . 1.0 109.799 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 18.3 t70 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 114.92 -1.036 . . . . 1.0 109.818 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.817 -0.513 . . . . 1.0 111.817 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 30.6 pt -105.36 170.94 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 176.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -101.32 147.54 33.92 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.217 0.532 . . . . 1.0 111.08 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -84.75 18.98 1.46 Allowed 'Trans proline' 0 C--N 1.333 -0.28 0 C-N-CA 123.873 3.049 . . . . 1.0 112.661 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -108.94 -58.48 2.01 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.934 0.397 . . . . 1.0 111.269 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 25.0 p 49.33 66.97 0.96 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.997 -1.001 . . . . 1.0 110.733 -171.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.496 ' HB2' ' HB ' ' A' 2303 ' ' VAL . 5.4 m-20 -75.2 120.24 80.75 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 114.966 -1.015 . . . . 1.0 109.524 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.473 ' HG3' ' CB ' ' A' 2383 ' ' ALA . 24.3 Cg_endo -60.36 -38.15 76.78 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.481 2.121 . . . . 1.0 111.77 -176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.477 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 7.0 p -76.08 -29.26 57.89 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.502 -0.772 . . . . 1.0 111.582 -177.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' A' 2300 ' ' ASP . 77.4 t -73.3 -40.01 56.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 176.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.528 ' HA ' ' ND2' ' A' 2307 ' ' ASN . 62.2 mt -63.1 -40.85 90.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.014 -0.539 . . . . 1.0 109.831 174.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.486 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.36 -45.69 87.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.613 175.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' 2310 ' ' LEU . 22.8 tt0 -56.03 -52.55 63.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.732 -0.667 . . . . 1.0 110.934 179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . 0.528 ' ND2' ' HA ' ' A' 2304 ' ' ILE . 3.4 p30 -65.19 -35.27 80.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 1.0 111.014 -174.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.36 -38.95 71.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.728 -0.669 . . . . 1.0 111.485 178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 83.1 mt -61.21 -45.41 94.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 1.0 110.786 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' 2306 ' ' GLU . 10.9 mp -59.99 -39.42 85.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.994 177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.3 -44.13 67.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 1.0 112.175 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -62.67 -39.45 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 1.0 111.014 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -63.33 -36.62 84.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.78 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -66.04 -35.13 79.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.784 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.45 98.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.528 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 48.2 mt -67.85 -33.21 60.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.383 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 2313 ' ' ALA . 42.0 mt-10 -62.15 -32.5 73.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 175.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -73.67 -28.69 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.792 178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -73.07 -46.41 51.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.255 176.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' 2324 ' ' GLU . . . -60.42 -27.78 67.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.167 0.508 . . . . 1.0 110.771 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -62.12 -40.77 97.02 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.229 176.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.439 ' O ' ' HG ' ' A' 2326 ' ' LEU . 57.9 mtpt -69.55 -31.12 69.13 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.829 -0.623 . . . . 1.0 109.982 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.574 HD13 HD12 ' A' 2326 ' ' LEU . 4.0 mm? -65.42 -37.18 86.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.445 -0.798 . . . . 1.0 111.014 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 2320 ' ' ALA . 87.2 mt-10 -66.28 -39.61 89.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.145 0.498 . . . . 1.0 110.142 176.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -73.93 -12.88 60.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.364 -0.835 . . . . 1.0 111.62 -177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.574 HD12 HD13 ' A' 2323 ' ' LEU . 87.2 mt -70.89 95.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.122 -0.695 . . . . 1.0 109.122 172.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 12.2 tptp -85.44 141.84 37.11 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.31 -173.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -43.65 135.79 6.89 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 123.568 2.845 . . . . 1.0 112.618 176.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' 2415 ' ' VAL . 28.0 mmm180 -113.96 -174.4 2.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.832 -0.622 . . . . 1.0 111.136 -173.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . 0.458 ' HB1' HD13 ' A' 2339 ' ' LEU . . . 69.25 155.69 0.13 Allowed 'General case' 0 C--O 1.235 0.325 0 O-C-N 124.068 0.855 . . . . 1.0 112.61 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -78.33 151.33 77.94 Favored Pre-proline 0 C--N 1.321 -0.674 0 CA-C-N 115.257 -0.883 . . . . 1.0 109.649 173.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.87 83.27 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 123.022 2.481 . . . . 1.0 112.608 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.495 ' HG3' HD12 ' A' 2339 ' ' LEU . 33.7 mmtp -86.86 172.67 9.91 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.806 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -81.59 157.84 24.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.746 -0.835 . . . . 1.0 108.746 172.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -77.0 77.11 3.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.092 0.404 . . . . 1.0 112.092 -173.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 32.9 t70 -157.84 30.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.457 1.123 . . . . 1.0 109.167 169.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -139.59 153.69 47.43 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.075 -1.42 . . . . 1.0 108.837 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 50.5 m -82.63 35.19 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.161 0.505 . . . . 1.0 111.447 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.495 HD12 ' HG3' ' A' 2333 ' ' LYS . 95.2 mt -97.09 78.97 2.81 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.005 -0.739 . . . . 1.0 109.005 177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 26.5 t-20 169.83 -22.78 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.52 -1.218 . . . . 1.0 108.953 -170.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.541 ' O ' HG12 ' A' 2345 ' ' ILE . 20.4 t80 -53.71 -41.32 66.85 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 114.378 -1.283 . . . . 1.0 109.783 172.197 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 8.7 mp0 -60.14 -33.95 72.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.429 -0.805 . . . . 1.0 111.091 177.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.543 ' O ' ' HG2' ' A' 2347 ' ' GLU . 48.7 mt-10 -68.71 -40.68 79.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.454 179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 2344 ' ' GLN . 15.2 mt-30 -64.03 -38.01 89.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.056 0.455 . . . . 1.0 110.217 177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.545 HG23 HD21 ' A' 2470 ' ' LEU . 41.0 mm -65.76 -46.42 89.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.795 -0.639 . . . . 1.0 109.924 175.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 69.5 tp -58.97 -52.49 65.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.388 -0.823 . . . . 1.0 111.693 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.41 -45.74 90.66 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.722 -0.391 . . . . 1.0 111.375 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -68.67 -45.74 70.91 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.923 -0.311 . . . . 1.0 111.011 -175.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.72 99.37 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.838 0.351 . . . . 1.0 110.783 177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.21 -34.62 78.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.223 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 23.0 t -61.7 -45.68 92.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.049 -0.523 . . . . 1.0 109.735 177.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.601 HG23 HG13 ' A' 2463 ' ' VAL . 64.4 mt -61.71 -51.55 71.44 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.369 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.373 175.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.74 64.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.934 0.397 . . . . 1.0 111.714 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -75.04 -50.49 16.33 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.858 0.361 . . . . 1.0 111.125 178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -66.42 -30.5 70.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.209 -175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.686 HG22 HG21 ' A' 2435 ' ' THR . 19.9 p -71.46 -42.59 67.97 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.967 -0.293 . . . . 1.0 111.471 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 34.0 t -61.8 -43.19 99.33 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -60.75 -39.18 87.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.286 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.14 -47.48 86.01 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.135 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' 2356 ' ' THR . 59.7 t -62.61 -37.92 80.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.978 0.418 . . . . 1.0 110.653 -179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.1 mttt -73.67 -36.31 65.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.586 178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.93 -35.9 79.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 1.0 110.116 174.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.86 75.37 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.014 174.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 33.8 t -58.93 -37.73 77.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.732 175.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -64.4 -47.89 77.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.87 -0.15 . . . . 1.0 110.756 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 2369 ' ' GLU . . . -63.49 -42.44 98.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.63 0.729 . . . . 1.0 110.319 177.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.445 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 19.1 tm0? -59.44 -45.85 90.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.681 -1.145 . . . . 1.0 110.266 178.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . 0.541 ' HA ' HG12 ' A' 2371 ' ' VAL . 29.3 ttt-85 -78.12 -34.79 49.75 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.724 -173.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 2366 ' ' ALA . 7.1 pt-20 -69.79 -38.41 76.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.15 0.5 . . . . 1.0 109.838 179.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.425 ' N ' ' HG3' ' A' 2369 ' ' GLU . 22.4 tp -72.44 -40.28 67.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.392 -0.822 . . . . 1.0 110.583 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.816 HG22 ' HB2' ' A' 2378 ' ' ALA . 1.7 p -69.72 -30.2 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.28 -179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.6 71.62 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 1.0 110.885 174.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' 2369 ' ' GLU . 50.2 mt-30 -75.16 -12.85 60.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.221 177.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 74.64 19.34 79.92 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.766 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -92.37 4.82 52.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.222 0.534 . . . . 1.0 110.471 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.439 ' CG2' ' HG2' ' A' 2445 ' ' LYS . 3.4 p -153.91 96.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.438 0.637 . . . . 1.0 111.227 176.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . 54.63 -108.58 0.95 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.154 -0.93 . . . . 1.0 114.053 173.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.816 ' HB2' HG22 ' A' 2371 ' ' VAL . . . 67.63 11.9 8.6 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.818 0.847 . . . . 1.0 111.201 -177.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.508 HG22 ' H ' ' A' 2381 ' ' ALA . 24.3 mm -138.45 115.94 9.18 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.216 -174.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.9 Cg_endo -44.83 -31.04 4.8 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.587 2.858 . . . . 1.0 113.827 174.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.508 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.05 -33.97 74.43 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.064 0.394 . . . . 1.0 112.064 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . 0.491 ' ND2' ' HB ' ' A' 2379 ' ' ILE . 32.9 p30 -104.38 16.72 25.57 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.683 0.754 . . . . 1.0 110.17 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.473 ' CB ' ' HG3' ' A' 2301 ' ' PRO . . . -71.35 -17.08 62.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.733 -1.121 . . . . 1.0 112.107 -176.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' 2388 ' ' GLN . 44.5 tp -52.43 -57.94 8.28 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.043 0.449 . . . . 1.0 110.642 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -80.56 -50.35 10.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.808 0.813 . . . . 1.0 111.113 -177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -76.43 -21.68 55.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.346 -0.843 . . . . 1.0 112.109 -173.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -69.93 -27.05 73.6 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.595 -0.812 . . . . 1.0 111.236 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' 2384 ' ' LEU . 96.7 mt-30 -65.82 -35.83 81.78 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.434 -0.58 . . . . 1.0 109.434 175.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.445 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 54.9 t90 -68.15 -47.69 67.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.52 -0.764 . . . . 1.0 109.874 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.477 ' O ' HG13 ' A' 2394 ' ' ILE . 20.5 m -58.75 -54.35 48.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.476 -0.783 . . . . 1.0 111.123 -178.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.15 -35.3 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.586 -0.279 . . . . 1.0 111.081 -179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.05 98.63 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.696 -0.764 . . . . 1.0 111.577 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 33.6 tp -67.77 -42.75 81.22 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.915 0.388 . . . . 1.0 110.022 177.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' 2305 ' ' ALA . 76.3 mt -57.57 -51.1 74.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.761 176.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 24.5 t -63.0 -38.03 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.457 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.449 ' O ' HG13 ' A' 2400 ' ' VAL . . . -63.41 -40.78 98.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.707 177.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.28 -38.37 89.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.999 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.98 -34.6 73.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.901 0.381 . . . . 1.0 110.348 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 46.9 ttm -64.1 -49.69 71.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.709 176.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' 2435 ' ' THR . 10.7 m -65.75 -38.61 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.198 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.81 -34.14 76.68 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 120.568 0.223 . . . . 1.0 110.939 179.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.08 -50.08 15.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.989 -0.284 . . . . 1.0 110.782 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.55 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.351 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.672 HG21 HG21 ' A' 2356 ' ' THR . 72.4 p -63.34 -33.98 76.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.678 -179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 2401 ' ' ALA . 6.4 t30 -68.6 -39.5 80.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.92 -38.04 86.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.61 -0.723 . . . . 1.0 110.881 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.573 ' HB2' HG21 ' A' 2431 ' ' VAL . 41.8 tp -70.9 -33.95 71.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.272 177.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 73.3 m -62.33 -39.48 93.22 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.18 0.514 . . . . 1.0 110.064 174.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.05 -25.35 61.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 1.0 110.577 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -75.53 -47.82 25.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.401 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.593 ' O ' HG23 ' A' 2415 ' ' VAL . . . -58.92 -37.71 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.365 176.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 25.9 t30 -48.29 -52.27 22.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.137 175.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -69.8 -39.17 76.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.772 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.311 -176.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' 2411 ' ' ALA . 23.9 t -63.9 -41.26 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.254 0.55 . . . . 1.0 110.729 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.51 0.76 32.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.0 112.772 -171.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 111.83 19.75 7.17 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.158 -1.02 . . . . 1.0 113.764 173.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . 0.522 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 85.2 m-70 -122.35 92.57 3.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.16 0.505 . . . . 1.0 110.315 175.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -101.32 102.05 12.83 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.795 -0.639 . . . . 1.0 110.775 -177.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.461 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 3.5 m -116.24 92.75 3.98 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.13 -1.063 . . . . 1.0 108.13 175.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.4 mp0 -64.92 -33.63 76.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.898 -170.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -56.18 -53.96 50.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.099 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.461 ' HG2' ' HB2' ' A' 2420 ' ' SER . 9.6 pttp -75.83 -23.5 55.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.986 0.422 . . . . 1.0 110.584 -176.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.4 tp -75.7 -53.36 8.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.838 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 78.3 mt -58.71 -47.91 87.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.998 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 14.0 m -61.53 -41.67 97.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.133 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.545 ' O ' HG23 ' A' 2431 ' ' VAL . 17.9 t -69.83 -40.46 75.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.996 -177.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.2 -38.39 90.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.186 0.517 . . . . 1.0 110.688 -175.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.67 -0.696 . . . . 1.0 110.613 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -67.05 -40.9 87.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.592 176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.573 HG21 ' HB2' ' A' 2407 ' ' LEU . 84.0 t -58.03 -50.86 76.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.619 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.423 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.53 -46.07 77.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.064 178.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.3 -40.99 77.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.351 -0.386 . . . . 1.0 111.945 -175.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 12.6 p -72.54 -42.14 65.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.905 0.384 . . . . 1.0 111.022 -178.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.686 HG21 HG22 ' A' 2356 ' ' THR . 21.1 m -72.07 -41.24 67.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.158 -0.473 . . . . 1.0 111.254 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.746 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -65.4 -20.58 66.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.137 0.494 . . . . 1.0 110.21 178.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.71 -27.0 62.72 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.761 -0.654 . . . . 1.0 110.198 177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.55 ' HB2' HG11 ' A' 2400 ' ' VAL . 45.8 tp -61.81 -33.46 74.16 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.746 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.9 mp -67.45 -44.88 77.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.582 174.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.5 ' O ' HG23 ' A' 2444 ' ' VAL . 46.0 t -59.01 -43.11 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.174 -179.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.85 -45.09 86.78 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.821 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . 0.465 ' SG ' HD11 ' A' 2456 ' ' LEU . 85.9 m -62.57 -46.32 88.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.588 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -59.62 -26.52 65.54 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 115.938 -0.573 . . . . 1.0 112.245 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' 2440 ' ' VAL . 84.1 t -51.89 -40.91 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 CA-C-O 120.904 0.383 . . . . 1.0 111.293 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.439 ' HG2' ' CG2' ' A' 2376 ' ' VAL . 4.3 mptp? -109.16 -32.72 7.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.257 -0.429 . . . . 1.0 111.332 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.42 ' HA ' HD22 ' A' 2370 ' ' LEU . . . -77.99 159.22 28.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.247 0.546 . . . . 1.0 112.007 -173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.19 163.05 12.45 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.451 -0.795 . . . . 1.0 110.176 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -75.63 -15.69 60.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.056 0.455 . . . . 1.0 110.218 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -91.74 -1.97 57.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.535 -178.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 66.8 m -73.62 130.17 39.49 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -61.52 -49.69 75.69 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.659 -171.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.405 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -68.06 -27.6 66.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 121.007 -0.277 . . . . 1.0 110.83 -179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.425 ' SD ' HD13 ' A' 2456 ' ' LEU . 15.0 tpt -68.48 -29.63 68.29 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.152 0.501 . . . . 1.0 110.512 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' 2454 ' ' LYS . 0.4 OUTLIER -63.37 -50.85 68.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.531 0.681 . . . . 1.0 109.271 176.544 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 19.5 ttm180 -68.44 -34.17 75.5 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.881 -1.054 . . . . 1.0 110.104 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.587 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.6 tt -55.0 -48.64 73.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.274 -0.875 . . . . 1.0 109.527 175.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.669 ' HA ' HD23 ' A' 2439 ' ' LEU . 60.7 tt0 -60.18 -48.84 80.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.927 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.94 77.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.098 -0.501 . . . . 1.0 112.024 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' 2463 ' ' VAL . . . -66.75 -47.53 71.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.653 0.263 . . . . 1.0 110.722 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -62.34 -35.07 91.12 Favored Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.901 -0.666 . . . . 1.0 111.57 175.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -57.65 -42.28 83.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.048 -0.576 . . . . 1.0 109.805 175.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.34 89.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.344 -0.844 . . . . 1.0 111.215 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.601 HG13 HG23 ' A' 2352 ' ' ILE . 7.9 t -60.09 -51.42 73.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-O 121.155 0.502 . . . . 1.0 110.038 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.413 ' CD ' ' HB1' ' A' 2432 ' ' ALA . 27.4 tptp -60.21 -45.54 92.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.322 -0.854 . . . . 1.0 110.316 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -65.11 -44.96 87.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.658 -178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' 2470 ' ' LEU . . . -66.54 -31.98 73.03 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 121.092 -0.243 . . . . 1.0 110.501 179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.423 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 49.2 m -70.04 -48.01 59.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.526 -0.306 . . . . 1.0 110.32 176.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.88 -46.6 78.25 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.437 -0.347 . . . . 1.0 111.157 175.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.03 -40.24 97.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.136 0.494 . . . . 1.0 110.487 179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.545 HD21 HG23 ' A' 2345 ' ' ILE . 0.4 OUTLIER -62.67 -44.61 95.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.587 -0.733 . . . . 1.0 110.076 178.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.479 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.2 t -59.85 -48.76 86.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.583 175.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -54.32 -48.14 71.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.324 178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.68 -47.07 86.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.113 0.482 . . . . 1.0 110.266 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -58.76 -34.3 71.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.532 178.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' 2471 ' ' VAL . 66.4 mt-30 -58.45 -41.48 85.25 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.592 0.234 . . . . 1.0 111.474 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' 2473 ' ' ALA . 50.6 pttt -72.22 -13.82 61.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.834 0.35 . . . . 1.0 110.921 -175.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -102.52 5.31 39.34 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.311 0.576 . . . . 1.0 110.751 175.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -115.75 -30.6 6.07 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.519 -0.764 . . . . 1.0 110.744 178.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 69.68 91.32 0.09 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.381 -0.827 . . . . 1.0 111.918 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -112.55 29.22 8.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.699 -0.852 . . . . 1.0 108.699 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' 2482 ' ' ASP . 36.2 tt0 -86.0 126.19 33.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.105 -0.952 . . . . 1.0 110.197 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' 2481 ' ' GLU . 13.2 t70 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.94 -1.029 . . . . 1.0 110.822 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . 0.774 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.443 -0.263 . . . . 1.0 112.443 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 70.0 mt -68.41 -53.56 27.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.267 0.556 . . . . 1.0 110.521 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -75.45 148.34 83.09 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.658 ' HA ' ' HG2' ' A' 2380 ' ' PRO . 84.0 Cg_endo -80.53 15.91 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 123.22 2.614 . . . . 1.0 112.935 178.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.44 0.16 17.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.145 0.497 . . . . 1.0 110.95 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.774 ' HG1' ' N ' ' A' 2294 ' ' GLY . 0.9 OUTLIER -102.82 59.69 0.79 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.938 -0.573 . . . . 1.0 110.461 175.624 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.83 118.98 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.532 -0.758 . . . . 1.0 109.861 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.2 -31.51 90.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.704 2.269 . . . . 1.0 111.817 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 22.5 p -70.88 -47.15 60.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.236 -0.893 . . . . 1.0 111.609 -178.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 61.8 t -65.71 -34.88 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.074 0.464 . . . . 1.0 110.489 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . . . . . . . . . 76.9 mt -63.49 -41.83 94.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.137 175.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' 2390 ' ' SER . . . -66.49 -33.72 76.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.912 178.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.489 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.8 tt0 -56.91 -42.88 80.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.602 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -63.41 -35.48 80.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.371 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -76.81 -26.17 54.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.237 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.83 -42.26 90.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.832 0.348 . . . . 1.0 110.303 175.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.78 -32.63 74.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.552 174.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -68.35 -35.65 82.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.957 -0.639 . . . . 1.0 112.122 176.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -72.9 -36.46 67.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.157 0.503 . . . . 1.0 110.36 176.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.07 -33.61 71.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.609 -0.723 . . . . 1.0 111.128 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.44 -38.98 78.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.914 -0.584 . . . . 1.0 111.155 179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -68.54 -36.51 78.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.045 0.45 . . . . 1.0 110.646 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 72.7 mt -68.65 -43.49 83.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.519 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.16 -33.67 76.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.643 177.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . 0.424 ' O ' ' HB3' ' A' 2321 ' ' LYS . . . -66.53 -34.26 77.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.024 0.44 . . . . 1.0 110.566 176.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.439 ' O ' HD13 ' A' 2323 ' ' LEU . . . -67.96 -44.25 77.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.125 175.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -31.38 71.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.778 176.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' 2325 ' ' GLN . 24.8 ttmm -61.77 -44.23 97.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.579 -0.737 . . . . 1.0 110.445 176.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' 2326 ' ' LEU . 68.1 mttm -65.45 -34.22 77.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.134 178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' 2350 ' ' LYS . 8.5 mp -63.06 -35.15 79.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.336 174.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' 2320 ' ' ALA . 43.8 mt-10 -67.37 -31.31 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.038 0.447 . . . . 1.0 110.427 176.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' 2321 ' ' LYS . 14.4 mt-30 -81.27 -12.03 59.2 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.742 -0.663 . . . . 1.0 110.684 -179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' 2322 ' ' LYS . 47.4 mt -79.08 135.17 36.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.179 0.514 . . . . 1.0 110.727 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.23 125.38 9.46 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.479 -0.782 . . . . 1.0 109.459 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -54.86 124.54 16.51 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.277 1.984 . . . . 1.0 110.506 174.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -47.53 114.83 0.96 Allowed 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.996 0.81 . . . . 1.0 112.969 -171.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -96.89 130.96 44.11 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.07 -0.968 . . . . 1.0 109.506 174.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.519 ' HB2' ' O ' ' A' 2334 ' ' GLU . 8.3 mtpm? -89.27 155.21 49.19 Favored Pre-proline 0 C--N 1.316 -0.849 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.139 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . 0.429 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 1.2 Cg_endo -48.0 95.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 124.079 3.186 . . . . 1.0 112.741 -176.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 47.0 mtpt 62.82 30.64 16.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 113.95 -1.477 . . . . 1.0 111.343 177.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 2331 ' ' LYS . 34.6 tt0 -155.51 115.55 3.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.298 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -116.27 18.12 15.39 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.82 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -80.15 81.69 6.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.18 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -113.3 134.37 54.64 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.883 -0.414 . . . . 1.0 109.883 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 63.4 m -91.57 30.27 1.36 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.514 0.674 . . . . 1.0 110.429 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 84.3 mt -137.28 105.6 5.75 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.215 -0.902 . . . . 1.0 109.887 -177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.54 ' O ' ' HG3' ' A' 2344 ' ' GLN . 19.4 m120 -105.5 11.82 32.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.604 -177.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' 2345 ' ' ILE . 54.9 t80 -54.47 -49.76 69.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.953 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.57 -34.47 67.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.036 -0.529 . . . . 1.0 111.445 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.4 mt-10 -73.74 -44.57 55.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.449 -0.341 . . . . 1.0 110.454 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' 2340 ' ' ASN . 72.1 mt-30 -57.86 -40.06 79.25 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.493 177.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.616 HG23 HD11 ' A' 2470 ' ' LEU . 42.5 mm -68.88 -45.14 81.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.325 176.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 55.8 tp -58.01 -52.35 65.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.751 -0.658 . . . . 1.0 111.588 -177.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.7 pt-20 -63.87 -41.44 97.75 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 120.822 -0.351 . . . . 1.0 111.74 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.447 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.36 -37.37 83.1 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.558 -0.457 . . . . 1.0 110.131 -176.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -62.74 -42.87 99.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.23 174.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.444 ' HA ' HD23 ' A' 2323 ' ' LEU . 98.7 mttt -62.92 -38.56 91.46 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.594 176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 35.7 m -57.91 -46.58 84.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.29 176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.545 HG23 HG13 ' A' 2463 ' ' VAL . 53.7 mt -64.79 -46.7 91.26 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.551 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.519 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.98 -41.32 78.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.954 0.407 . . . . 1.0 111.489 -179.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.96 -47.81 49.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.783 177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.539 -178.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2404 ' ' THR . 18.2 p -69.69 -41.52 75.32 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.038 0.447 . . . . 1.0 110.727 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' 2361 ' ' LYS . 22.6 t -61.5 -40.84 96.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.743 -0.662 . . . . 1.0 109.666 176.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -65.73 -38.79 90.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.292 176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2456 ' ' LEU . 70.0 tp -61.82 -50.97 70.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.908 -0.587 . . . . 1.0 111.718 -179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -64.41 -30.79 51.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.801 0.334 . . . . 1.0 111.069 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' 2357 ' ' SER . 75.0 mmtt -75.15 -40.51 59.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.958 0.408 . . . . 1.0 110.105 175.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.62 -32.6 74.26 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.922 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.44 95.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.991 0.424 . . . . 1.0 110.221 175.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 28.8 t -63.69 -39.05 93.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.084 176.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.63 -48.37 72.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.556 -0.293 . . . . 1.0 110.738 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -55.81 -48.82 74.73 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 121.251 0.548 . . . . 1.0 110.223 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.589 ' O ' HG23 ' A' 2371 ' ' VAL . 1.4 tt0 -61.39 -46.74 88.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.179 -0.919 . . . . 1.0 110.958 177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 58.1 ttp180 -61.49 -43.05 99.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.576 0.227 . . . . 1.0 111.242 -178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' 2373 ' ' GLN . 19.1 mm-40 -63.22 -43.17 98.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.024 0.44 . . . . 1.0 109.889 175.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.519 ' HG ' ' HB ' ' A' 2376 ' ' VAL . 12.9 tp -61.11 -35.34 76.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.528 -0.76 . . . . 1.0 110.153 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' 2367 ' ' GLN . 76.0 t -71.48 -52.18 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.605 -0.725 . . . . 1.0 111.225 177.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -62.87 -32.04 73.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.049 0.452 . . . . 1.0 111.693 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.537 ' HB3' ' O ' ' A' 2369 ' ' GLU . 0.1 OUTLIER -82.59 -18.15 42.3 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.54 -179.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 80.06 20.73 66.93 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.988 174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -80.01 -35.91 36.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 1.0 109.67 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.541 HG23 ' HD3' ' A' 2445 ' ' LYS . 7.7 p -91.63 160.77 2.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.54 -0.754 . . . . 1.0 109.505 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -79.55 67.46 3.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.827 -0.702 . . . . 1.0 112.228 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.452 ' CB ' HG13 ' A' 2371 ' ' VAL . . . -77.08 38.29 0.21 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.171 0.51 . . . . 1.0 111.045 -179.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.613 HG22 ' H ' ' A' 2381 ' ' ALA . 40.5 mm -126.43 123.3 24.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.882 -0.599 . . . . 1.0 109.623 -176.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.658 ' HG2' ' HA ' ' A' 2297 ' ' PRO . 79.8 Cg_exo -46.71 -29.8 8.29 Favored 'Trans proline' 0 CA--C 1.535 0.559 0 C-N-CA 123.435 2.757 . . . . 1.0 113.742 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.613 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.07 -16.97 64.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 1.0 111.518 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -110.31 19.95 18.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 1.0 109.902 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.06 -26.72 68.43 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.713 -0.676 . . . . 1.0 112.007 -176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 5.8 tt -63.07 -50.28 71.22 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.5 -0.318 . . . . 1.0 110.413 -178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -79.98 -57.27 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 1.0 111.532 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.729 ' HA ' ' NZ ' ' A' 2445 ' ' LYS . 0.3 OUTLIER -68.14 -23.09 64.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 1.0 110.717 -171.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' 2391 ' ' GLN . . . -63.13 -33.84 88.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.934 -0.65 . . . . 1.0 111.563 174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -68.53 -33.91 74.94 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.552 ' CG ' ' HD2' ' A' 2445 ' ' LYS . 53.4 t90 -71.54 -48.38 49.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.947 -1.024 . . . . 1.0 109.98 175.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.499 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.9 m -58.39 -54.6 45.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.789 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 2387 ' ' GLY . 76.2 mt-30 -62.65 -39.81 95.05 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.699 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.87 -43.09 99.68 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.975 -0.631 . . . . 1.0 111.969 178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 36.2 tp -62.47 -42.2 99.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 1.0 110.044 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -62.6 -48.59 87.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.679 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 47.7 m -61.66 -41.44 97.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.415 . . . . 1.0 111.042 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2400 ' ' VAL . . . -65.58 -36.2 83.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.327 . . . . 1.0 110.672 176.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.61 -37.28 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.582 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 9.1 mpt_? -66.1 -36.78 84.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.068 0.461 . . . . 1.0 109.865 173.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.1 ttt -65.13 -46.93 78.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.885 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.667 HG12 ' HA ' ' A' 2435 ' ' THR . 5.1 m -68.22 -37.39 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.63 -0.428 . . . . 1.0 110.052 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.84 -37.72 87.95 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 116.55 -0.295 . . . . 1.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -74.93 -49.76 19.07 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.963 -0.295 . . . . 1.0 110.928 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.42 -48.76 80.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.132 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.607 HG21 HG21 ' A' 2356 ' ' THR . 75.8 p -66.76 -30.34 70.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.937 0.399 . . . . 1.0 110.719 -179.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.592 ' O ' ' HB3' ' A' 2408 ' ' CYS . 21.9 t-20 -73.6 -37.1 65.56 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-O 121.127 0.489 . . . . 1.0 110.085 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . 0.426 HD22 ' N ' ' A' 2406 ' ' ASN . 0.9 OUTLIER -71.8 -29.61 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.127 179.098 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.6 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.0 tp -70.06 -31.77 69.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.825 175.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.4 -45.54 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.749 -0.66 . . . . 1.0 110.034 172.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -70.52 -33.01 70.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.608 . . . . 1.0 111.067 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.68 80.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.974 0.416 . . . . 1.0 110.503 177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.07 -42.24 98.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.368 175.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -54.97 -47.83 74.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.757 177.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.22 90.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 1.0 111.188 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.77 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 1.0 111.294 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' 2411 ' ' ALA . 26.3 t -61.07 -37.02 76.44 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 121.366 0.603 . . . . 1.0 110.479 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -85.42 20.32 2.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.177 -0.919 . . . . 1.0 111.758 -175.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 85.65 12.2 72.74 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.692 -0.766 . . . . 1.0 113.468 172.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -106.94 86.76 2.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.092 0.473 . . . . 1.0 109.998 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.18 99.75 11.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.94 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.447 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 66.3 m -121.21 84.8 2.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.463 -0.789 . . . . 1.0 109.281 178.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.474 HE21 ' HB2' ' A' 2478 ' ' ALA . 2.0 mp0 -67.26 -24.42 65.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.326 -173.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.39 -55.8 21.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.726 0.298 . . . . 1.0 110.297 178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.447 ' HE2' ' HB2' ' A' 2420 ' ' SER . 56.7 pttt -73.65 -30.69 63.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.563 -0.29 . . . . 1.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 50.9 tp -63.71 -50.47 69.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.693 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.578 ' O ' ' HG3' ' A' 2429 ' ' LYS . 56.2 mt -63.46 -47.31 92.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.622 178.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 46.9 m -58.25 -47.34 83.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.826 -177.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.6 ' O ' HG23 ' A' 2431 ' ' VAL . 32.8 p -68.09 -36.65 80.15 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.074 -0.25 . . . . 1.0 111.032 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.59 -38.54 87.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.193 0.52 . . . . 1.0 110.485 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' 2425 ' ' ILE . 29.0 mtpp -68.34 -34.19 75.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.14 177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 41.7 mm-40 -68.88 -41.37 78.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.929 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.6 HG21 ' HB2' ' A' 2407 ' ' LEU . 75.4 t -57.67 -54.03 36.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.19 176.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.754 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.21 -46.38 72.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.994 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -63.96 -50.88 66.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.727 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 28.9 p -69.34 -37.14 77.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 1.0 111.279 -175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.667 ' HA ' HG12 ' A' 2400 ' ' VAL . 17.4 m -71.55 -41.65 68.83 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.018 0.437 . . . . 1.0 110.546 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.745 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.27 -24.88 65.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.214 0.53 . . . . 1.0 110.0 176.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.66 -27.41 65.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.322 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.572 ' HB2' HG11 ' A' 2400 ' ' VAL . 59.9 tp -59.76 -37.31 78.68 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 174.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.0 mp -64.53 -44.06 92.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.359 175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' 2444 ' ' VAL . 46.4 t -60.38 -39.14 80.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.767 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.04 89.4 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.953 178.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.6 t -72.32 -39.45 68.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.231 -0.44 . . . . 1.0 109.99 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 34.6 ttmt -58.32 -21.36 49.07 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.914 -0.585 . . . . 1.0 112.045 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' 2440 ' ' VAL . 95.1 t -57.72 -30.77 38.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.992 0.425 . . . . 1.0 110.821 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.729 ' NZ ' ' HA ' ' A' 2386 ' ' ASP . 78.1 mttt -122.39 -32.11 3.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.7 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -80.74 122.17 26.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.916 0.389 . . . . 1.0 110.146 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -81.89 152.29 26.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.158 -179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' 2453 ' ' MET . 8.0 tp-100 -60.14 -29.18 68.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.317 -0.401 . . . . 1.0 111.481 -179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 14.0 t70 -82.3 64.22 6.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.5 0.667 . . . . 1.0 110.096 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.433 ' HB3' ' CB ' ' A' 2453 ' ' MET . 33.4 t -144.34 133.45 22.86 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.613 179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -56.35 -48.04 77.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.121 0.486 . . . . 1.0 110.601 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -64.0 -33.9 76.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.734 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.466 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 16.9 tpt -66.95 -35.04 79.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -62.5 -48.01 81.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.403 . . . . 1.0 110.448 176.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.45 -39.85 94.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.143 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.445 HD12 HD12 ' A' 2359 ' ' LEU . 39.2 tp -58.61 -50.08 75.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.418 177.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.565 ' HA ' HD23 ' A' 2439 ' ' LEU . 9.3 tt0 -59.55 -44.25 93.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.864 177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.18 77.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.33 -0.395 . . . . 1.0 111.511 -178.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' 2463 ' ' VAL . . . -71.84 -44.31 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.752 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.455 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.24 -39.7 94.53 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.818 -0.706 . . . . 1.0 111.919 177.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 65.4 t30 -60.78 -38.04 83.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.317 -0.442 . . . . 1.0 109.928 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.43 98.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.692 -0.685 . . . . 1.0 110.842 177.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.545 HG13 HG23 ' A' 2352 ' ' ILE . 11.3 t -58.11 -50.95 76.47 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.254 0 CA-C-O 121.146 0.498 . . . . 1.0 109.843 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.754 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.1 OUTLIER -66.86 -37.84 85.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.735 -175.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -69.35 -43.1 74.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.779 178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.86 -36.19 79.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.74 178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.427 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.2 m -66.83 -40.2 87.9 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.098 -0.334 . . . . 1.0 110.098 176.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.59 -41.84 95.53 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.776 0.322 . . . . 1.0 110.759 173.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.1 t30 -62.47 -44.71 95.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.073 0.463 . . . . 1.0 110.37 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.616 HD11 HG23 ' A' 2345 ' ' ILE . 25.1 tp -59.37 -45.4 91.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.274 178.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.521 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.9 t -59.56 -48.09 88.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.662 175.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -56.0 -46.58 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.958 -0.564 . . . . 1.0 110.367 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.12 -38.58 76.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.093 0.473 . . . . 1.0 110.576 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.469 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -68.91 -37.06 78.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.766 176.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.5 mt-30 -65.5 -18.25 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.941 178.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.45 ' HB3' ' NZ ' ' A' 2476 ' ' LYS . 9.0 mtpm? -83.43 -33.68 25.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.769 176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -88.46 0.65 56.05 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.446 0.641 . . . . 1.0 110.996 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . 0.474 ' HB2' HE21 ' A' 2421 ' ' GLN . . . -142.58 98.23 3.26 Favored 'General case' 0 C--N 1.309 -1.152 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.812 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -66.7 113.72 5.05 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.042 -177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -103.67 74.0 1.21 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.817 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -124.59 41.84 3.41 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.602 0.715 . . . . 1.0 110.168 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 37.1 t70 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 114.929 -1.032 . . . . 1.0 110.327 -177.48 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 29.3 pt -123.25 157.12 29.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.923 0.392 . . . . 1.0 110.43 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 2.9 p30 -128.26 149.75 72.2 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.848 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.527 ' HA ' ' OD2' ' A' 2300 ' ' ASP . 93.2 Cg_endo -77.97 17.23 1.03 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.355 2.703 . . . . 1.0 112.984 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -103.84 -24.55 13.29 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.243 0.544 . . . . 1.0 110.242 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 20.1 p -114.33 34.79 4.51 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.366 -0.834 . . . . 1.0 111.592 -175.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.527 ' OD2' ' HA ' ' A' 2297 ' ' PRO . 9.2 m-20 -73.79 114.95 37.24 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.982 -0.747 . . . . 1.0 108.982 173.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.491 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 9.4 Cg_endo -52.3 -49.06 18.7 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 123.243 2.629 . . . . 1.0 113.042 -173.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.8 p -64.7 -38.98 92.83 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.453 -0.339 . . . . 1.0 111.787 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 88.7 t -63.74 -43.43 98.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 1.0 110.245 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -57.83 -43.53 84.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.462 177.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.53 91.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.896 -0.593 . . . . 1.0 111.312 179.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.89 -38.96 90.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.144 0.497 . . . . 1.0 110.519 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -62.86 -28.8 70.28 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.556 178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.7 -34.08 60.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.69 -0.687 . . . . 1.0 110.336 178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 88.8 mt -63.73 -51.41 65.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.725 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.33 -31.74 71.61 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.077 -179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -70.98 -35.97 64.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.795 -0.717 . . . . 1.0 111.931 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' 2401 ' ' ALA . . . -73.49 -45.73 52.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.338 . . . . 1.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -61.72 -34.97 76.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 1.0 111.088 -179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.23 73.65 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.222 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.78 76.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.364 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 56.9 mt -63.5 -44.78 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.488 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' 2313 ' ' ALA . 44.9 mt-10 -64.28 -33.89 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 1.0 111.087 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -69.83 -38.19 76.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.36 . . . . 1.0 110.768 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -68.68 -43.44 76.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.879 -0.415 . . . . 1.0 109.879 175.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.558 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -57.55 -35.02 69.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.645 -0.707 . . . . 1.0 110.566 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -58.37 -46.34 86.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.84 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -79.07 -25.61 43.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.124 0.488 . . . . 1.0 110.34 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' A' 2320 ' ' ALA . 16.1 tp -68.54 -38.05 80.49 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.63 -0.714 . . . . 1.0 110.336 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.449 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 51.7 mt-10 -68.21 -21.0 64.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.091 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -87.07 -0.36 56.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.618 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.429 HD12 HD12 ' A' 2323 ' ' LEU . 76.6 mt -72.41 -44.97 61.71 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 121.006 -0.277 . . . . 1.0 110.503 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 52.3 tttm 71.96 140.06 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.387 0 O-C-N 123.841 0.713 . . . . 1.0 112.417 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -59.04 166.86 6.39 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.715 2.277 . . . . 1.0 111.755 171.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' 2339 ' ' LEU . 33.5 mtp180 -70.96 169.89 13.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.284 0.564 . . . . 1.0 111.559 -175.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -73.92 -171.97 1.22 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.434 -0.803 . . . . 1.0 110.526 174.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 66.5 mttm -42.13 142.96 1.09 Allowed Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.724 -1.125 . . . . 1.0 111.582 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -54.79 97.34 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.13 3.22 . . . . 1.0 113.113 -170.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -72.3 155.95 39.64 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.634 -1.166 . . . . 1.0 110.258 175.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -148.25 28.36 0.91 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.577 0.704 . . . . 1.0 109.718 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -122.82 10.6 9.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.384 -0.825 . . . . 1.0 111.065 -179.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' 2337 ' ' GLU . 5.8 p-10 -148.83 46.15 1.01 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.378 -0.828 . . . . 1.0 109.171 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' 2336 ' ' ASP . 51.2 mm-40 65.6 162.52 0.15 Allowed 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 114.64 -1.164 . . . . 1.0 111.245 -172.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 43.6 m -85.72 67.23 9.99 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 175.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.419 ' HB2' ' NH1' ' A' 2329 ' ' ARG . 90.0 mt -86.42 95.5 9.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.821 -0.627 . . . . 1.0 111.412 -175.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.0 m120 -113.43 7.35 17.54 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.891 -0.781 . . . . 1.0 108.891 171.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.53 ' CE1' ' HA ' ' A' 2474 ' ' ALA . 38.9 t80 -56.88 -50.01 73.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.317 -1.31 . . . . 1.0 110.861 178.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.436 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.3 mp0 -54.95 -41.13 70.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.943 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' 2347 ' ' GLU . 63.5 mt-10 -64.32 -45.21 88.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.985 178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 2340 ' ' ASN . 75.3 mt-30 -60.51 -36.89 79.45 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.982 0.42 . . . . 1.0 110.667 178.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' 2341 ' ' PHE . 51.6 mm -67.78 -46.76 81.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.921 175.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 67.2 tp -57.63 -52.32 65.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.976 -177.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.629 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.0 pt-20 -59.92 -43.53 94.86 Favored 'General case' 0 CA--C 1.517 -0.303 0 N-CA-C 111.956 0.354 . . . . 1.0 111.956 -177.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -75.5 -30.64 59.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.438 -0.505 . . . . 1.0 110.456 -176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . 0.527 ' HA ' HD12 ' A' 2352 ' ' ILE . . . -62.47 -37.85 87.56 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.527 -0.546 . . . . 1.0 109.527 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' 2324 ' ' GLU . 99.0 mttt -63.4 -41.05 98.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.592 174.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 20.8 p -64.7 -36.94 85.92 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.896 -0.409 . . . . 1.0 109.896 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' 2349 ' ' ALA . 79.6 mt -62.12 -56.88 14.81 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.641 0 N-CA-C 109.343 -0.614 . . . . 1.0 109.343 171.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -51.98 -42.3 62.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.543 0.527 . . . . 1.0 111.984 -178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -69.56 -46.04 67.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.835 0.35 . . . . 1.0 111.143 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.51 69.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.665 -177.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.441 HG21 HG21 ' A' 2404 ' ' THR . 41.1 p -69.27 -43.12 74.57 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.982 0.42 . . . . 1.0 110.852 -178.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 50.8 m -62.29 -35.73 79.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.355 177.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.67 -36.99 70.82 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.393 176.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.444 HD11 HD23 ' A' 2456 ' ' LEU . 51.7 tp -57.56 -48.38 79.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.022 -0.535 . . . . 1.0 111.042 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 24.7 t -64.07 -37.16 79.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.745 -179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 62.6 mttp -70.63 -35.53 72.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.983 0.421 . . . . 1.0 110.559 177.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.61 -34.69 77.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.653 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.24 91.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.305 175.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 11.0 t -60.94 -45.46 94.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.923 -0.58 . . . . 1.0 110.391 175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.57 94.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.588 176.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.417 ' HA ' ' CB ' ' A' 2452 ' ' ALA . . . -60.55 -47.55 85.71 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.878 -0.601 . . . . 1.0 111.044 178.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' 2371 ' ' VAL . 19.5 mt-30 -54.24 -51.83 63.25 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.125 -0.489 . . . . 1.0 109.828 175.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -55.0 -42.85 73.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.144 -0.935 . . . . 1.0 112.026 -174.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -68.23 -41.58 81.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.653 -0.419 . . . . 1.0 110.399 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.1 -31.08 72.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.779 178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' 2367 ' ' GLN . 74.9 t -68.42 -45.01 82.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 1.0 109.925 175.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.6 91.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.989 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -74.17 -22.16 59.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.776 177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.5 29.09 71.72 Favored Glycine 0 N--CA 1.45 -0.433 0 N-CA-C 111.627 -0.589 . . . . 1.0 111.627 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.8 tttp -79.36 -21.9 45.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.443 0.639 . . . . 1.0 110.432 -175.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.438 HG21 ' CE3' ' A' 2389 ' ' TRP . 12.6 p -118.24 159.73 18.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.531 -0.759 . . . . 1.0 109.305 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -71.46 65.25 1.04 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.176 -0.535 . . . . 1.0 112.636 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . . . . . . . . . . . -77.76 -2.22 35.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.517 0.675 . . . . 1.0 111.505 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' 2381 ' ' ALA . 43.6 mm -98.46 136.08 20.96 Favored Pre-proline 0 C--N 1.311 -1.09 0 CA-C-N 115.083 -0.962 . . . . 1.0 108.8 178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 2.0 Cg_endo -43.6 -36.64 7.39 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.672 2.915 . . . . 1.0 113.711 176.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.426 ' H ' HG22 ' A' 2379 ' ' ILE . . . -69.69 -17.07 63.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.957 0.408 . . . . 1.0 111.448 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -119.61 21.19 12.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.01 -0.541 . . . . 1.0 109.869 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -59.52 -27.74 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.569 . . . . 1.0 111.935 -174.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' 2384 ' ' LEU . 1.8 tm? -58.16 -41.73 84.45 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.929 -0.397 . . . . 1.0 109.929 177.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.85 -52.63 59.19 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.585 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.491 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 14.5 t70 -63.59 -35.7 81.37 Favored 'General case' 0 C--O 1.221 -0.444 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.837 179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' 2391 ' ' GLN . . . -58.83 -22.85 55.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.073 -0.584 . . . . 1.0 112.752 -178.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -79.76 -33.67 40.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.353 0.597 . . . . 1.0 109.674 175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.526 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 28.1 t90 -81.57 -52.22 7.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.474 -0.785 . . . . 1.0 111.41 -178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . . . . . . . . . 11.4 p -69.33 -26.73 64.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.637 -0.256 . . . . 1.0 111.336 -175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' 2387 ' ' GLY . 8.4 tt0 -60.37 -45.83 92.13 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.059 0.457 . . . . 1.0 110.054 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -75.31 -29.19 60.53 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.831 -0.7 . . . . 1.0 111.742 177.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.2 tp -71.05 -47.43 58.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.613 0.244 . . . . 1.0 110.548 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.82 -50.95 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.184 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.219 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 6.1 p -56.77 -44.19 81.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.579 -0.282 . . . . 1.0 110.73 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' 2400 ' ' VAL . . . -65.22 -51.04 63.44 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.211 -0.45 . . . . 1.0 111.177 177.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -60.94 -45.29 95.29 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 1.0 111.473 -178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.14 -32.25 73.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.354 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 7.1 tpt -70.13 -41.56 73.75 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.496 175.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.76 HG22 ' HA ' ' A' 2435 ' ' THR . 84.4 t -57.15 -49.4 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -56.51 -38.6 72.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.37 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -78.47 -48.68 14.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.777 0.323 . . . . 1.0 111.3 -178.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.78 78.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.412 -177.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.56 HG22 HG13 ' A' 2431 ' ' VAL . 65.9 p -67.48 -29.11 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.924 0.392 . . . . 1.0 110.389 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.565 ' HB2' ' O ' ' A' 2401 ' ' ALA . 40.6 t-20 -72.2 -43.79 63.97 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.819 -0.808 . . . . 1.0 108.819 178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.88 -36.39 74.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.832 176.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.608 ' HB2' HG21 ' A' 2431 ' ' VAL . 35.8 tp -72.09 -35.94 69.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.51 178.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 98.1 m -61.99 -37.15 83.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.498 . . . . 1.0 109.906 174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' 2405 ' ' ASN . 54.2 mt-10 -73.81 -29.2 62.03 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.882 177.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -72.85 -44.08 61.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.158 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 2415 ' ' VAL . . . -59.75 -43.58 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.779 -0.646 . . . . 1.0 110.187 174.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' 2416 ' ' GLN . 34.7 t30 -50.39 -55.09 17.21 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.754 176.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.8 -43.02 72.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.391 -176.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.72 -49.98 75.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.249 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 2411 ' ' ALA . 21.3 t -61.48 -35.39 66.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.283 0.563 . . . . 1.0 110.953 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.554 ' HG2' ' O ' ' A' 2412 ' ' ASN . 18.8 mm-40 -77.14 -14.54 59.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.378 -0.828 . . . . 1.0 111.985 -174.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 116.11 7.5 14.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.372 -0.918 . . . . 1.0 113.166 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 41.1 m80 -120.63 77.09 1.25 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.156 0.503 . . . . 1.0 109.861 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.08 134.75 42.55 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.983 -175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.728 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 15.4 m -139.08 100.51 4.04 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 174.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 23.7 mp0 -62.86 -29.11 70.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.438 -0.801 . . . . 1.0 110.71 -173.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.74 -46.24 87.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.521 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.728 ' HE2' ' HB2' ' A' 2420 ' ' SER . 46.0 mtmt -73.79 -39.52 64.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.046 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.3 -47.96 83.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.049 -175.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.646 HG23 HG13 ' A' 2471 ' ' VAL . 74.8 mt -60.01 -50.07 81.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.132 178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 8.4 t -61.69 -44.71 96.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.532 -177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.476 ' O ' HG23 ' A' 2431 ' ' VAL . 37.8 m -64.64 -41.67 95.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 111.158 -178.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.45 -35.89 81.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.984 0.421 . . . . 1.0 110.666 -177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -69.06 -33.99 74.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.384 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.99 -41.47 70.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.633 177.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.608 HG21 ' HB2' ' A' 2407 ' ' LEU . 71.1 t -60.13 -53.28 50.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.478 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -54.62 -46.79 73.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.094 179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -66.41 -47.88 71.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.594 -0.276 . . . . 1.0 111.599 -176.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 15.3 m -70.02 -37.73 75.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 1.0 111.211 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.76 ' HA ' HG22 ' A' 2400 ' ' VAL . 22.5 m -73.94 -41.66 61.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.957 0.408 . . . . 1.0 110.686 -178.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.76 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -68.13 -21.95 64.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.266 0.555 . . . . 1.0 110.044 177.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -71.6 -26.7 62.7 Favored 'General case' 0 C--O 1.23 0.054 0 CA-C-N 115.688 -0.687 . . . . 1.0 110.097 176.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.43 74.85 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 175.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.76 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -64.59 -47.13 79.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.475 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 47.2 t -60.11 -42.14 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.414 179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.78 -41.77 82.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.742 -0.663 . . . . 1.0 111.182 179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 47.0 t -73.55 -43.2 60.45 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 120.931 -0.308 . . . . 1.0 110.377 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 40.2 ttmt -55.72 -19.95 12.77 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -178.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.464 HG12 ' HD2' ' A' 2445 ' ' LYS . 96.3 t -52.47 -39.0 27.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 120.569 0.223 . . . . 1.0 111.079 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.489 ' HD3' ' CD1' ' A' 2389 ' ' TRP . 6.2 mptp? -116.28 -15.91 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.642 -0.254 . . . . 1.0 111.014 176.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -85.33 136.04 33.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.052 0.453 . . . . 1.0 111.701 -176.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 19.4 t70 -81.66 144.01 31.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.185 -0.672 . . . . 1.0 109.185 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -73.89 -14.79 61.12 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.74 0.305 . . . . 1.0 111.631 -172.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.35 7.77 40.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.272 0.558 . . . . 1.0 110.522 179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.578 ' O ' ' HG2' ' A' 2454 ' ' LYS . 42.3 t -69.64 145.65 52.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.101 176.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -62.0 -47.87 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.611 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' 2366 ' ' ALA . . . -65.87 -29.44 69.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.717 0.294 . . . . 1.0 111.065 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.424 ' HE3' ' HE2' ' A' 2443 ' ' LYS . 1.2 tmt? -69.44 -35.91 76.13 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.994 -0.372 . . . . 1.0 109.994 178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.578 ' HG2' ' O ' ' A' 2450 ' ' SER . 73.8 mmtt -54.15 -54.13 43.86 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.084 0.468 . . . . 1.0 110.61 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -70.95 -26.32 63.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.999 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.625 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 3.9 tt -68.26 -49.45 60.51 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.196 -0.668 . . . . 1.0 109.196 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.548 ' HA ' HD23 ' A' 2439 ' ' LEU . 9.6 tt0 -61.83 -44.58 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.929 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.77 84.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.561 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.491 ' O ' HG23 ' A' 2463 ' ' VAL . . . -69.14 -43.38 74.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.718 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.476 ' HA3' HD11 ' A' 2439 ' ' LEU . . . -62.1 -39.41 97.6 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.135 -0.555 . . . . 1.0 112.374 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -60.07 -41.18 91.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.157 0.504 . . . . 1.0 109.794 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.56 -37.8 88.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.626 -0.716 . . . . 1.0 111.349 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' 2459 ' ' ALA . 6.4 t -61.23 -52.16 64.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 121.037 0.446 . . . . 1.0 110.07 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -60.21 -43.9 95.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.439 -0.8 . . . . 1.0 109.729 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' 2465 ' ' ARG . 44.3 ttm180 -59.27 -52.01 67.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.971 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.44 96.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.502 -179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 35.7 m -66.74 -39.7 88.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.455 -0.339 . . . . 1.0 110.705 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -57.25 -50.87 71.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.576 0.703 . . . . 1.0 109.511 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -57.58 -40.24 78.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.422 -1.263 . . . . 1.0 110.974 178.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.58 -40.98 96.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.119 178.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.646 HG13 HG23 ' A' 2425 ' ' ILE . 62.1 t -63.23 -53.51 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.323 174.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.7 tmtm? -53.28 -50.98 63.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.681 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.21 -36.35 79.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.951 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.53 ' HA ' ' CE1' ' A' 2341 ' ' PHE . . . -67.15 -35.57 79.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.867 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.3 mt-30 -63.87 -19.41 65.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.0 110.723 177.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -83.21 -32.12 26.7 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.037 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -90.53 11.26 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.923 0.392 . . . . 1.0 111.677 -175.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -158.35 -170.61 3.17 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.166 179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -106.07 96.49 6.52 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.009 0.433 . . . . 1.0 110.78 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.67 90.74 2.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.816 -0.629 . . . . 1.0 109.881 177.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -147.24 92.16 2.08 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.003 177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 . . . . . 0 C--O 1.247 0.941 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.941 178.103 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . 0.469 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.484 1.887 0 N-CA-C 112.461 -0.256 . . . . 1.0 112.461 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' 2295 ' ' ILE . 9.9 tp -102.21 35.13 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 122.485 1.136 . . . . 1.0 108.962 175.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -144.65 154.1 55.58 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 114.827 -1.079 . . . . 1.0 110.816 -173.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.45 21.59 0.83 Allowed 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.398 2.732 . . . . 1.0 113.056 177.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -110.55 -45.49 3.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.398 0.618 . . . . 1.0 110.97 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.469 ' HG1' ' N ' ' A' 2294 ' ' GLY . 16.6 p -89.0 66.85 7.99 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.536 -174.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.429 ' O ' HG12 ' A' 2304 ' ' ILE . 44.3 m-20 -80.86 123.91 81.95 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 108.524 -0.917 . . . . 1.0 108.524 171.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -57.93 -30.04 88.45 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.797 2.331 . . . . 1.0 112.711 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 61.8 p -75.23 -40.97 58.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.89 0.376 . . . . 1.0 110.473 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 95.9 t -65.69 -26.74 39.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.505 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' 2300 ' ' ASP . 44.3 mm -54.19 -45.76 67.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.604 -0.517 . . . . 1.0 109.604 173.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.12 94.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.596 -0.729 . . . . 1.0 111.318 -178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.403 ' O ' HD13 ' A' 2310 ' ' LEU . 1.1 mp0 -52.82 -46.09 67.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.036 0.446 . . . . 1.0 111.177 178.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -77.88 -42.07 34.57 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.983 0.42 . . . . 1.0 111.524 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . 0.5 ' HB3' HD12 ' A' 2394 ' ' ILE . 5.5 tp10 -77.89 -43.17 30.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.789 -171.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.28 -46.27 81.14 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.625 0.25 . . . . 1.0 110.419 -179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' 2306 ' ' GLU . 10.3 mp -63.86 -31.15 72.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.559 177.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -66.46 -45.23 87.12 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.796 -0.716 . . . . 1.0 111.604 175.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.4 -30.06 66.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.97 0.414 . . . . 1.0 110.995 177.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -59.41 -32.05 69.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.894 -0.594 . . . . 1.0 111.477 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.52 -40.45 82.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.024 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.68 -34.45 73.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.033 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 51.9 mt -73.19 -43.75 56.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.16 0.505 . . . . 1.0 110.158 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -65.31 -32.25 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.713 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . 0.474 ' HA ' ' HB3' ' A' 2321 ' ' LYS . . . -58.45 -27.65 64.56 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.278 0.361 . . . . 1.0 110.822 175.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.505 ' O ' HD13 ' A' 2323 ' ' LEU . . . -68.75 -56.47 7.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.593 178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.461 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.41 -31.78 70.71 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.906 0.86 . . . . 1.0 110.064 176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . 0.474 ' HB3' ' HA ' ' A' 2318 ' ' ALA . 62.9 tttp -61.71 -43.23 99.26 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.221 -1.354 . . . . 1.0 110.476 177.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.553 ' NZ ' ' HB2' ' A' 2322 ' ' LYS . 0.0 OUTLIER -68.12 -49.15 62.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.844 -0.616 . . . . 1.0 109.781 175.129 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.505 HD13 ' O ' ' A' 2319 ' ' ALA . 7.2 mp -54.74 -40.88 69.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.225 -0.898 . . . . 1.0 113.081 -177.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -72.35 -19.64 61.6 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.826 -0.35 . . . . 1.0 111.105 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -96.86 -3.36 42.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.651 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' 2322 ' ' LYS . 55.8 mt -84.69 121.08 27.16 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.177 0.513 . . . . 1.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 84.6 tttt -115.81 119.35 37.53 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.273 -0.876 . . . . 1.0 109.247 177.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -56.52 131.02 43.18 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.389 2.059 . . . . 1.0 111.275 176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -74.73 71.37 1.94 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.485 0.659 . . . . 1.0 110.718 -178.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -161.33 130.67 4.68 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.827 -1.079 . . . . 1.0 109.063 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 145.2 95.19 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.342 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.78 84.7 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.603 2.202 . . . . 1.0 111.152 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 65.2 tttm -134.73 124.49 25.3 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 114.818 -1.083 . . . . 1.0 109.678 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -75.34 99.45 4.11 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.37 -0.604 . . . . 1.0 109.37 178.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -103.95 133.67 48.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.357 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -81.97 74.71 8.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.515 0.674 . . . . 1.0 111.124 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -149.84 -162.72 1.61 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.146 -0.934 . . . . 1.0 109.038 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 42.4 m -89.99 30.24 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.629 0.728 . . . . 1.0 110.057 177.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.63 91.08 7.82 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.942 -1.027 . . . . 1.0 109.534 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 175.26 -21.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.928 -1.033 . . . . 1.0 109.63 -172.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' 2345 ' ' ILE . 53.6 t80 -51.01 -41.58 59.86 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.185 -0.916 . . . . 1.0 110.028 171.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -57.18 -37.76 72.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.65 -0.704 . . . . 1.0 110.324 177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' 2347 ' ' GLU . 38.8 mt-10 -77.75 -34.31 52.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.72 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.54 -34.99 79.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.137 0.494 . . . . 1.0 110.284 176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.558 HG23 HD11 ' A' 2470 ' ' LEU . 41.3 mm -70.49 -44.23 77.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.905 -0.589 . . . . 1.0 109.655 173.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.543 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 35.9 tp -58.92 -49.09 79.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.333 -0.848 . . . . 1.0 111.448 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 2343 ' ' GLU . 7.3 pt-20 -61.79 -48.91 78.51 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.546 0.212 . . . . 1.0 111.347 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' 2347 ' ' GLU . . . -67.15 -34.81 78.36 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.546 -174.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.08 95.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.28 175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.543 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 99.5 mttt -64.95 -36.16 83.5 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.352 177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 18.0 t -56.45 -52.91 62.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.863 176.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 54.0 mt -61.07 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.399 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.644 176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.63 -39.34 76.71 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.852 0.316 . . . . 1.0 111.852 -177.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.24 60.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.73 0.3 . . . . 1.0 111.108 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -70.71 -39.55 73.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.553 -0.294 . . . . 1.0 111.36 -178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2404 ' ' THR . 15.9 p -68.22 -44.45 75.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 1.0 111.753 -176.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 17.3 p -66.72 -26.21 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.767 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -79.56 -37.95 35.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.115 174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.403 ' CD2' HG22 ' A' 2435 ' ' THR . 62.8 tp -59.66 -45.51 91.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 1.0 111.582 -178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -62.26 -31.69 52.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.906 0.384 . . . . 1.0 110.842 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 64.5 mttp -78.3 -39.46 39.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.859 0.362 . . . . 1.0 110.108 176.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -61.03 -34.01 74.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.788 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.541 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -61.75 -47.0 87.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.347 175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 30.9 t -67.45 -31.5 71.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.341 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' 2368 ' ' ARG . . . -71.39 -36.57 71.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.899 0.38 . . . . 1.0 110.204 177.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.74 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -61.12 -43.25 99.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.16 0.505 . . . . 1.0 109.755 174.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.666 ' O ' HG23 ' A' 2371 ' ' VAL . 48.6 mt-30 -60.38 -44.71 95.37 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 115.364 -0.835 . . . . 1.0 110.194 175.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' 2365 ' ' ALA . 53.3 ttp180 -47.23 -47.37 24.59 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.892 0.477 . . . . 1.0 111.468 -178.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.18 -50.0 62.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.515 -0.311 . . . . 1.0 111.327 174.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.562 ' HG ' ' HD2' ' A' 2375 ' ' LYS . 8.6 mp -60.25 -36.44 77.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.045 0.387 . . . . 1.0 112.045 -177.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' 2367 ' ' GLN . 62.0 t -67.62 -41.73 85.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 109.851 -0.426 . . . . 1.0 109.851 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.21 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.71 177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -73.52 -18.94 61.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.691 175.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 72.52 19.67 79.11 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -174.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.562 ' HD2' ' HG ' ' A' 2370 ' ' LEU . 37.9 ttmt -75.63 -30.21 59.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.287 0.565 . . . . 1.0 109.856 -178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.464 HG12 ' HB3' ' A' 2445 ' ' LYS . 32.3 m -108.28 155.27 9.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.593 -0.73 . . . . 1.0 109.812 173.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' 2386 ' ' ASP . . . -72.71 105.55 1.76 Allowed Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 116.122 -0.49 . . . . 1.0 112.551 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' 2371 ' ' VAL . . . -96.88 13.03 30.14 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.22 0.533 . . . . 1.0 110.551 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.556 HG22 ' H ' ' A' 2381 ' ' ALA . 32.9 mm -118.34 122.11 30.5 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.454 -0.794 . . . . 1.0 110.277 -174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.46 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 6.9 Cg_endo -51.19 -24.97 16.15 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 122.991 2.461 . . . . 1.0 113.192 176.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.556 ' H ' HG22 ' A' 2379 ' ' ILE . . . -65.94 -47.54 74.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.641 176.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -94.64 12.45 27.61 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.537 0.684 . . . . 1.0 110.203 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.34 -16.38 63.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.957 -1.02 . . . . 1.0 111.448 177.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -50.26 -51.18 46.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.67 -0.492 . . . . 1.0 109.67 175.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.65 -57.98 3.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.132 0.492 . . . . 1.0 111.345 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' 2377 ' ' GLY . 1.4 m-20 -75.42 -22.78 57.1 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.04 0.756 . . . . 1.0 113.04 -171.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -68.91 -28.28 73.18 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.553 -0.832 . . . . 1.0 111.223 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -78.1 -26.38 48.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.0 109.883 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.559 ' CD1' ' HB ' ' A' 2444 ' ' VAL . 53.0 t90 -65.62 -49.32 69.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 168.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.698 ' O ' HG12 ' A' 2394 ' ' ILE . 46.1 t -54.62 -52.89 60.82 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.091 -0.959 . . . . 1.0 110.258 176.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.44 -35.64 81.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.634 -0.257 . . . . 1.0 111.42 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.99 97.43 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.571 -0.823 . . . . 1.0 111.268 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 45.8 tp -66.87 -38.08 85.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.28 -0.46 . . . . 1.0 109.798 174.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.698 HG12 ' O ' ' A' 2390 ' ' SER . 33.5 mm -61.35 -52.21 63.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.017 177.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 30.1 m -57.05 -42.64 80.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.585 ' O ' HG13 ' A' 2400 ' ' VAL . . . -64.11 -38.26 90.43 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.844 178.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.628 -0.26 . . . . 1.0 111.269 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -63.87 -36.63 84.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.096 0.474 . . . . 1.0 109.803 174.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 27.4 ttt -66.78 -48.22 69.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.835 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' 2396 ' ' ALA . 5.3 m -66.0 -35.53 75.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 C-N-CA 120.739 -0.384 . . . . 1.0 110.095 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -61.35 -43.81 98.25 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.564 0.221 . . . . 1.0 110.623 178.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.09 -45.65 55.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.594 -0.275 . . . . 1.0 110.764 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.64 -51.28 70.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.176 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.598 HG21 HG21 ' A' 2356 ' ' THR . 77.3 p -67.65 -30.97 70.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.856 0.36 . . . . 1.0 110.874 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 2401 ' ' ALA . 14.7 t-20 -72.0 -39.52 69.17 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -65.23 -33.73 76.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.586 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.562 ' HB2' HG21 ' A' 2431 ' ' VAL . 31.6 tp -68.2 -34.11 75.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.202 178.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 2.0 t -59.92 -37.51 79.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.298 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.89 -39.04 76.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.662 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.74 78.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.872 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.16 -45.69 92.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.919 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' 2416 ' ' GLN . 8.7 t30 -54.61 -39.58 68.03 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.156 178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.58 78.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.17 88.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.063 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 2411 ' ' ALA . 17.8 t -62.68 -38.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.438 0.637 . . . . 1.0 110.458 178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.518 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -80.29 -4.39 53.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.426 -0.806 . . . . 1.0 111.586 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 98.84 9.04 53.44 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.765 -0.731 . . . . 1.0 112.989 177.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -97.93 89.24 4.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.468 -0.568 . . . . 1.0 109.468 178.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -82.92 108.45 16.26 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.793 -172.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . . . . . . . . . 16.6 m -124.6 84.85 2.33 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.425 HE22 ' HZ ' ' A' 2341 ' ' PHE . 12.0 mm100 -71.96 -36.47 69.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.911 -170.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -60.61 -54.24 47.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.828 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . . . . . . . . . 47.9 pttt -70.35 -29.89 66.69 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.687 -0.405 . . . . 1.0 110.59 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.89 -47.94 81.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 1.0 110.107 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.464 HG23 HG13 ' A' 2471 ' ' VAL . 73.8 mt -66.48 -45.25 89.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.517 177.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . 0.536 ' O ' ' HG2' ' A' 2430 ' ' GLN . 61.9 m -59.05 -51.01 71.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.472 ' O ' HG23 ' A' 2431 ' ' VAL . 23.2 t -62.04 -38.11 87.48 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 1.0 110.869 -178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.01 85.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.179 0.514 . . . . 1.0 110.404 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' 2425 ' ' ILE . 8.5 mtmp? -69.58 -33.11 72.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.172 179.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 2426 ' ' SER . 14.8 mm100 -67.08 -49.91 63.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.228 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.572 HG13 HG22 ' A' 2404 ' ' THR . 53.0 t -54.03 -50.47 53.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.585 -0.734 . . . . 1.0 110.871 177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . . . . . . . . . . . -56.94 -39.78 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.178 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -71.03 -49.68 42.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.678 -0.237 . . . . 1.0 111.269 -178.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 13.0 p -69.72 -39.4 76.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.713 0.292 . . . . 1.0 111.435 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.59 HG21 HG22 ' A' 2356 ' ' THR . 17.2 m -71.67 -40.1 69.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.021 0.438 . . . . 1.0 110.649 -178.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.701 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -69.72 -21.66 63.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.279 0.561 . . . . 1.0 109.62 175.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -75.03 -21.41 59.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.121 176.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.564 ' HB2' HG11 ' A' 2400 ' ' VAL . 56.4 tp -61.15 -35.47 77.17 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.967 -0.753 . . . . 1.0 108.967 172.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.718 ' HG ' HD22 ' A' 2456 ' ' LEU . 7.3 mp -64.7 -44.71 89.4 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.512 -0.767 . . . . 1.0 110.193 172.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 68.7 t -58.63 -38.71 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.813 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.58 76.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.837 -0.62 . . . . 1.0 110.675 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 45.6 t -65.87 -38.7 89.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.786 0.326 . . . . 1.0 110.312 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.75 -20.44 5.58 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 115.716 -0.674 . . . . 1.0 112.748 -178.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.559 ' HB ' ' CD1' ' A' 2389 ' ' TRP . 74.4 t -57.59 -40.15 73.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 122.072 -0.393 . . . . 1.0 110.733 178.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.464 ' HB3' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -108.76 -25.3 10.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.901 177.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.416 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -85.26 123.6 30.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.928 0.394 . . . . 1.0 110.785 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 3.4 p30 -81.99 175.86 10.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 1.0 111.02 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.43 -36.96 32.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.587 -171.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -84.66 -6.55 59.37 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.657 -173.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.447 ' HB3' ' HB3' ' A' 2453 ' ' MET . 38.5 t -58.81 132.36 53.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.792 0.329 . . . . 1.0 110.788 177.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -67.11 -40.79 86.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.327 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.74 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -64.94 -39.11 93.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.539 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.447 ' HB3' ' HB3' ' A' 2450 ' ' SER . 16.9 tpt -72.43 -33.36 67.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.068 178.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -61.85 -46.2 90.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.274 0.559 . . . . 1.0 109.809 176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 2455 ' ' ARG . 42.3 ttp-105 -62.64 -40.45 97.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.251 -0.886 . . . . 1.0 110.336 177.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.718 HD22 ' HG ' ' A' 2439 ' ' LEU . 2.2 tt -60.54 -47.4 86.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.761 -0.654 . . . . 1.0 109.421 175.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' 2439 ' ' LEU . 30.3 tt0 -58.35 -42.44 86.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.435 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.7 -34.38 74.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.468 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -77.36 -37.87 51.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.332 . . . . 1.0 110.762 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.549 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.03 -37.79 94.64 Favored Glycine 0 N--CA 1.453 -0.179 0 C-N-CA 121.001 -0.619 . . . . 1.0 112.013 177.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -59.21 -38.18 79.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 1.0 110.018 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.52 -40.64 92.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.622 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 14.7 t -60.96 -49.07 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 121.082 0.468 . . . . 1.0 110.01 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -60.31 -46.39 90.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.128 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -65.56 -41.3 93.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 1.0 111.334 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.85 84.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.906 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 34.8 m -67.77 -43.4 79.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.752 0.31 . . . . 1.0 110.461 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.17 -36.61 80.28 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.05 0.452 . . . . 1.0 110.683 175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 47.1 t30 -65.26 -41.59 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.275 176.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.558 HD11 HG23 ' A' 2345 ' ' ILE . 27.3 tp -63.41 -42.41 98.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.991 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.525 ' O ' ' HG3' ' A' 2475 ' ' GLN . 51.9 t -56.68 -50.97 72.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.698 -0.683 . . . . 1.0 110.561 174.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -53.48 -46.3 69.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.827 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.56 -42.36 98.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.255 0.55 . . . . 1.0 110.559 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -62.4 -29.36 70.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.329 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 2471 ' ' VAL . 96.2 mt-30 -69.82 -17.19 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.095 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 94.8 mttt -82.41 -31.12 29.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.954 0.407 . . . . 1.0 111.05 178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -85.45 6.67 25.79 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.043 0.449 . . . . 1.0 111.763 -175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' 2480 ' ' PHE . . . -160.76 -161.79 0.88 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.758 -0.655 . . . . 1.0 110.107 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -116.93 98.72 6.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.165 0.507 . . . . 1.0 110.368 178.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.435 ' CE2' ' HB3' ' A' 2478 ' ' ALA . 75.4 m-85 -125.75 85.46 2.4 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.63 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.32 72.93 1.01 Allowed 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.207 -1.034 . . . . 1.0 108.207 175.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 115.113 -0.949 . . . . 1.0 109.898 -173.657 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.998 -0.441 . . . . 1.0 111.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 12.6 tt -150.98 136.64 11.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 110.329 -0.249 . . . . 1.0 110.329 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.671 ' HB3' ' HB2' ' A' 2300 ' ' ASP . 0.0 OUTLIER 63.82 145.95 0.09 OUTLIER Pre-proline 0 N--CA 1.473 0.712 0 C-N-CA 124.658 1.183 . . . . 1.0 112.773 177.668 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . 0.415 ' HD2' ' HG3' ' A' 2380 ' ' PRO . 44.5 Cg_endo -76.74 -54.31 0.07 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.585 2.19 . . . . 1.0 112.628 175.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 30.6 p90 -150.1 -3.66 0.37 Allowed 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 115.304 -0.862 . . . . 1.0 112.633 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.406 ' O ' ' HB3' ' A' 2380 ' ' PRO . 6.3 p -162.71 111.58 1.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 122.743 0.417 . . . . 1.0 110.386 -174.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.671 ' HB2' ' HB3' ' A' 2296 ' ' ASP . 16.6 t70 -117.5 115.06 37.83 Favored Pre-proline 0 C--N 1.315 -0.901 0 N-CA-C 109.621 -0.511 . . . . 1.0 109.621 173.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.32 -37.24 94.7 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 123.024 2.483 . . . . 1.0 112.896 -175.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . 0.508 ' OG1' ' HA ' ' A' 2378 ' ' ALA . 0.0 OUTLIER -71.63 -47.67 52.92 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.108 -179.148 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' 2300 ' ' ASP . 78.5 t -68.67 -32.68 56.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-N 116.396 -0.365 . . . . 1.0 111.181 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 2300 ' ' ASP . 77.0 mt -58.5 -53.04 52.13 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 C-N-CA 120.632 -0.427 . . . . 1.0 109.899 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.524 ' O ' ' HG ' ' A' 2309 ' ' LEU . . . -59.46 -36.38 75.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.761 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.465 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 44.4 tt0 -59.63 -51.45 69.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.577 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -71.02 -35.29 71.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.028 0.442 . . . . 1.0 110.876 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -63.93 -35.04 79.37 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.576 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 2305 ' ' ALA . 31.5 mt -63.83 -40.7 97.22 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 121.031 -0.268 . . . . 1.0 110.52 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' 2310 ' ' LEU . 4.2 mm? -65.52 -32.45 74.06 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.968 0.413 . . . . 1.0 110.339 175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.06 -44.27 94.52 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.859 -0.686 . . . . 1.0 111.468 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.15 78.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 1.0 110.939 175.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . . . . . . . . . . . -57.85 -38.25 75.33 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.359 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -54.47 -40.4 68.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.102 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -75.96 -35.62 59.59 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.124 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.86 -48.57 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.2 -31.3 72.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.389 -0.369 . . . . 1.0 110.887 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.91 68.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.953 0.406 . . . . 1.0 110.539 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -71.37 -39.62 71.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 1.0 109.902 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.539 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -60.84 -34.42 74.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.493 175.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -66.06 -37.71 86.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.005 -0.998 . . . . 1.0 110.624 -178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -62.95 -38.76 92.34 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.293 0.568 . . . . 1.0 109.491 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.442 HD11 ' HA ' ' A' 2408 ' ' CYS . 8.7 mp -63.48 -38.2 90.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.171 -0.922 . . . . 1.0 111.668 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 2320 ' ' ALA . 38.2 mt-10 -67.9 -20.8 65.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.039 0.447 . . . . 1.0 110.792 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -94.77 -7.49 40.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.659 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.544 HD21 HD22 ' A' 2412 ' ' ASN . 60.8 mt -75.96 103.87 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.168 176.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -103.2 120.26 52.66 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 109.348 -0.612 . . . . 1.0 109.348 178.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.42 82.64 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.589 2.193 . . . . 1.0 112.439 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 19.9 ptt85 -87.87 150.88 23.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.469 176.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -88.8 160.94 17.02 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.27 0.557 . . . . 1.0 111.41 -175.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.507 ' HD2' ' HE2' ' A' 2333 ' ' LYS . 46.9 mttp -89.35 156.15 48.53 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.176 -0.92 . . . . 1.0 110.011 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -68.08 73.25 0.76 Allowed 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.046 2.498 . . . . 1.0 112.361 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.507 ' HE2' ' HD2' ' A' 2331 ' ' LYS . 60.2 pttt -167.72 157.65 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.0 109.467 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -67.4 121.65 16.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.792 0.329 . . . . 1.0 111.053 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -84.58 106.36 16.09 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.516 -0.55 . . . . 1.0 109.516 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 7.0 t70 -116.4 23.68 11.91 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 122.244 1.021 . . . . 1.0 109.86 -174.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -147.56 151.6 36.56 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.812 -1.54 . . . . 1.0 109.078 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 20.8 t -80.6 90.55 5.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.268 -0.641 . . . . 1.0 109.268 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 83.2 mt -88.92 72.54 8.46 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.757 -177.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' A' 2344 ' ' GLN . 4.0 t-20 -93.81 -2.13 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.481 -0.781 . . . . 1.0 109.553 178.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.537 ' O ' HG12 ' A' 2345 ' ' ILE . 29.1 t80 -56.54 -56.04 26.31 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.84 -1.073 . . . . 1.0 111.702 -176.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -58.43 -29.82 66.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.547 -177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 2347 ' ' GLU . 46.4 mt-10 -76.92 -43.35 35.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.506 179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 2340 ' ' ASN . 61.6 mt-30 -61.81 -29.19 69.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.13 0.49 . . . . 1.0 110.39 175.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.568 HG23 HD11 ' A' 2470 ' ' LEU . 33.2 mm -70.55 -46.58 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.85 -0.614 . . . . 1.0 110.19 172.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 64.9 tp -59.58 -52.71 64.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.402 -177.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.3 pt-20 -58.36 -47.26 84.38 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.623 0.231 . . . . 1.0 111.623 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.465 ' O ' HG13 ' A' 2352 ' ' ILE . . . -67.97 -42.18 81.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.534 -0.303 . . . . 1.0 110.94 -174.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -64.5 -39.03 93.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.847 0.356 . . . . 1.0 110.304 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -66.48 -34.85 78.84 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.098 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 58.4 m -63.21 -42.5 99.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.407 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.79 HG23 HG13 ' A' 2463 ' ' VAL . 54.1 mt -63.08 -45.89 97.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 109.942 -0.392 . . . . 1.0 109.942 173.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.539 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.67 -42.77 84.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.895 0.379 . . . . 1.0 111.232 178.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -70.14 -45.35 66.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.913 0.387 . . . . 1.0 111.047 177.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -65.38 -39.53 92.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.355 -178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2404 ' ' THR . 18.5 p -65.85 -41.18 92.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.963 0.411 . . . . 1.0 110.551 -179.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 47.3 m -58.85 -41.84 87.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.408 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -70.64 -35.76 73.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.643 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.413 ' CD2' HG22 ' A' 2435 ' ' THR . 56.1 tp -63.13 -52.43 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.664 -178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 12.8 p -62.87 -30.62 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.93 0.395 . . . . 1.0 111.141 -177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -76.45 -39.93 51.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.529 -0.305 . . . . 1.0 110.322 176.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.05 -41.04 99.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.613 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.23 -42.87 96.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.397 176.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.417 ' HA ' ' OE1' ' A' 2367 ' ' GLN . 34.3 t -63.22 -43.72 97.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.352 177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.96 95.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.613 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -57.04 -46.33 82.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.685 177.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' 2371 ' ' VAL . 51.4 mt-30 -51.98 -53.31 42.98 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.659 178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -55.71 -34.99 65.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.335 -177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -60.13 -51.9 67.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.033 0.444 . . . . 1.0 110.547 176.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.468 ' HB3' HG13 ' A' 2376 ' ' VAL . 2.8 mm? -68.52 -37.25 79.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.896 -178.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' 2367 ' ' GLN . 87.7 t -63.29 -48.69 86.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.794 177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.81 96.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.352 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.14 -4.19 51.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.18 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 63.88 33.65 87.82 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 116.076 -0.511 . . . . 1.0 113.012 176.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' 2370 ' ' LEU . 73.6 tttt -85.6 -32.29 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.095 0.474 . . . . 1.0 110.128 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.468 HG13 ' HB3' ' A' 2370 ' ' LEU . 30.5 m -90.64 -174.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 172.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.76 -54.9 16.24 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.255 -0.974 . . . . 1.0 111.242 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.508 ' HA ' ' OG1' ' A' 2302 ' ' THR . . . 57.94 28.31 15.98 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.105 0.479 . . . . 1.0 110.837 177.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.563 HG22 ' H ' ' A' 2381 ' ' ALA . 25.3 mm -145.05 125.93 7.51 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.395 -0.821 . . . . 1.0 109.462 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' 2379 ' ' ILE . 1.0 OUTLIER -45.01 -35.77 10.58 Favored 'Trans proline' 0 CA--C 1.534 0.51 0 C-N-CA 124.084 3.189 . . . . 1.0 114.034 175.128 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.563 ' H ' HG22 ' A' 2379 ' ' ILE . . . -66.4 -15.52 63.37 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 111.906 0.336 . . . . 1.0 111.906 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -103.03 20.77 16.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.897 0.38 . . . . 1.0 110.131 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . 0.478 ' O ' ' HA3' ' A' 2387 ' ' GLY . . . -65.35 -17.59 64.64 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.456 0.539 . . . . 1.0 112.456 -175.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . 0.432 ' O ' ' HG3' ' A' 2388 ' ' GLN . 1.9 tm? -65.23 -49.25 70.39 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.265 -0.643 . . . . 1.0 109.265 175.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -80.12 -57.36 3.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.29 0.567 . . . . 1.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -69.45 -23.01 63.61 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.764 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' 2383 ' ' ALA . . . -68.87 -31.13 72.5 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.648 -0.787 . . . . 1.0 111.655 177.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 2384 ' ' LEU . 47.3 mt-30 -77.11 -32.78 56.8 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 1.0 109.755 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 40.8 t90 -70.75 -45.6 64.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.152 176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.414 ' O ' HG13 ' A' 2394 ' ' ILE . 12.0 p -63.73 -49.93 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.503 -0.317 . . . . 1.0 110.994 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -59.29 -41.86 89.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.579 0.228 . . . . 1.0 110.924 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -63.47 -43.01 98.82 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.715 -0.755 . . . . 1.0 111.898 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.05 -43.43 87.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.933 0.397 . . . . 1.0 110.452 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.549 ' O ' ' HD3' ' A' 2398 ' ' ARG . 82.7 mt -62.86 -44.38 99.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.661 177.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 48.0 m -63.33 -38.8 92.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 1.0 110.488 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.626 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.67 -42.22 99.5 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.049 175.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -61.33 -42.0 97.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.483 176.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.549 ' HD3' ' O ' ' A' 2394 ' ' ILE . 6.8 mpt_? -58.82 -42.96 90.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.985 0.421 . . . . 1.0 110.147 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' 2434 ' ' SER . 23.7 tpp -66.65 -47.94 70.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.654 -0.703 . . . . 1.0 111.493 -178.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' 2435 ' ' THR . 3.9 m -65.9 -39.53 84.92 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 C-N-CA 120.661 -0.416 . . . . 1.0 110.209 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -65.81 -31.81 72.98 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 121.309 -0.157 . . . . 1.0 110.655 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -76.27 -52.01 10.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.72 0.295 . . . . 1.0 110.648 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -60.34 -48.21 82.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.522 -177.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.701 HG21 HG21 ' A' 2356 ' ' THR . 58.0 p -67.77 -26.51 66.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.088 0.47 . . . . 1.0 110.403 -179.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' 2408 ' ' CYS . 23.1 t-20 -73.86 -40.23 63.4 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.281 0.563 . . . . 1.0 109.606 176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . 0.428 HD22 ' N ' ' A' 2406 ' ' ASN . 0.9 OUTLIER -67.2 -30.05 69.88 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.739 -0.664 . . . . 1.0 109.942 177.254 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.66 HD21 HD12 ' A' 2352 ' ' ILE . 56.9 tp -67.79 -35.56 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.051 174.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.518 ' HB3' ' O ' ' A' 2405 ' ' ASN . 41.2 t -58.69 -37.29 75.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.912 -0.586 . . . . 1.0 109.867 174.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -76.3 -35.83 58.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.787 178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -66.2 -45.89 79.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.927 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.533 ' O ' HG23 ' A' 2415 ' ' VAL . . . -64.97 -39.85 94.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.381 177.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.544 HD22 HD21 ' A' 2326 ' ' LEU . 21.7 t-20 -54.82 -49.03 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.7 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -54.28 -48.9 70.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.233 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -58.49 -46.11 87.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.41 -177.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 2411 ' ' ALA . 35.1 t -64.0 -43.76 97.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.301 0.572 . . . . 1.0 111.121 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 2412 ' ' ASN . 13.9 mm100 -77.42 -4.89 47.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.497 -0.774 . . . . 1.0 112.069 -172.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 109.69 18.79 8.67 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.268 -0.968 . . . . 1.0 114.008 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 36.5 m170 -114.99 87.7 2.71 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.196 0.522 . . . . 1.0 110.342 176.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -84.19 115.99 22.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.747 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.487 ' HB2' ' HE2' ' A' 2423 ' ' LYS . 49.7 m -140.0 84.65 1.98 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.299 176.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.56 -37.59 85.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.299 -0.864 . . . . 1.0 111.361 -173.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -55.86 -54.56 43.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.927 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.487 ' HE2' ' HB2' ' A' 2420 ' ' SER . 54.4 pttt -71.98 -28.84 63.68 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 1.0 110.445 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 42.7 tp -63.52 -48.13 78.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.507 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.422 ' O ' ' HG3' ' A' 2429 ' ' LYS . 79.4 mt -58.0 -49.96 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.652 177.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 52.7 m -58.06 -44.04 87.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.581 ' O ' HG23 ' A' 2431 ' ' VAL . 45.4 m -62.57 -45.9 90.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.048 -178.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.33 -35.43 79.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 1.0 110.852 -176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' 2425 ' ' ILE . 55.3 mtpt -68.27 -35.54 78.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.227 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -66.8 -40.95 88.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.617 175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.619 HG21 ' HB2' ' A' 2407 ' ' LEU . 94.6 t -59.5 -54.63 31.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 177.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' 2467 ' ' SER . . . -55.4 -43.81 75.56 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.836 -0.62 . . . . 1.0 111.291 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -67.79 -47.14 69.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.532 -0.303 . . . . 1.0 111.55 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.537 ' HB2' ' HG3' ' A' 2399 ' ' MET . 29.4 p -70.18 -41.84 73.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.847 0.356 . . . . 1.0 111.176 -177.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.746 ' HA ' HG12 ' A' 2400 ' ' VAL . 12.3 m -69.68 -40.0 76.63 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.765 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.711 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -67.55 -25.34 65.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.08 0.467 . . . . 1.0 110.212 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -70.75 -24.75 62.67 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.112 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.602 ' HB2' HG11 ' A' 2400 ' ' VAL . 64.1 tp -60.11 -35.66 75.73 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.532 -0.544 . . . . 1.0 109.532 174.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.2 mp -66.17 -42.25 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.765 175.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . . . . . . . . . 60.6 t -57.39 -45.01 85.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.82 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -59.44 -46.81 87.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.719 178.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 62.6 m -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.668 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -53.49 -34.63 58.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.412 -0.813 . . . . 1.0 112.223 -174.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 48.2 t -57.54 -52.04 62.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.846 -175.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.19 -13.9 23.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.595 -0.275 . . . . 1.0 111.655 -175.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.417 ' HA ' HD21 ' A' 2370 ' ' LEU . . . -80.77 166.68 20.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.968 0.413 . . . . 1.0 111.387 -177.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 22.8 t70 -100.38 133.38 44.89 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.807 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.65 -7.19 49.11 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -170.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -113.21 -0.84 14.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.271 -0.571 . . . . 1.0 110.96 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . . . . . . . . . 40.1 t -66.81 144.45 56.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.052 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -63.5 -44.64 93.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.387 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' 2456 ' ' LEU . . . -63.45 -32.44 73.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.767 179.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.8 tmt? -71.93 -41.06 68.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.062 178.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.0 -45.63 91.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.947 -0.57 . . . . 1.0 109.968 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 50.5 mtp85 -65.08 -37.05 86.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.593 -0.73 . . . . 1.0 110.773 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.549 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 4.5 tt -58.89 -51.71 68.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.402 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.64 ' HA ' HD23 ' A' 2439 ' ' LEU . 28.6 tt0 -59.99 -45.0 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.016 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.12 76.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.607 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -71.25 -40.74 70.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.924 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.634 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -65.44 -40.29 96.22 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 121.018 -0.61 . . . . 1.0 112.056 176.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -58.81 -38.78 79.36 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -61.78 -42.47 99.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.622 -0.717 . . . . 1.0 111.243 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.79 HG13 HG23 ' A' 2352 ' ' ILE . 10.6 t -59.12 -51.49 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.994 0.426 . . . . 1.0 109.987 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.5 tptp -61.02 -43.6 98.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.5 -0.773 . . . . 1.0 110.98 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.76 -43.92 82.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.23 -177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . 0.477 ' HB3' HG12 ' A' 2352 ' ' ILE . . . -67.25 -36.83 82.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.589 178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.437 ' CB ' ' HB2' ' A' 2432 ' ' ALA . 50.4 m -66.36 -39.84 89.39 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.908 -0.404 . . . . 1.0 109.908 175.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.17 -48.47 76.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.961 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 10.1 t30 -64.44 -37.71 88.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.351 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.568 HD11 HG23 ' A' 2345 ' ' ILE . 19.3 tp -63.57 -42.35 98.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.193 178.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' 2475 ' ' GLN . 42.8 t -61.97 -48.59 87.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.288 174.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . 0.76 ' HA ' HE21 ' A' 2475 ' ' GLN . 1.7 tmtp? -54.48 -48.14 72.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.332 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.07 78.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.866 0.365 . . . . 1.0 110.931 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.524 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -67.52 -35.03 78.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.118 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.76 HE21 ' HA ' ' A' 2472 ' ' LYS . 42.6 mt-30 -67.5 -19.45 65.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.35 . . . . 1.0 110.533 178.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' 2472 ' ' LYS . 58.1 mtpt -78.87 -28.71 44.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.781 179.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.68 14.78 16.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.297 0.57 . . . . 1.0 110.991 -178.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -145.71 165.24 29.36 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.563 -0.744 . . . . 1.0 110.1 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -131.01 78.86 1.86 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.229 0.538 . . . . 1.0 110.531 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 4.1 p90 -124.92 84.7 2.31 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.871 0.843 . . . . 1.0 111.012 -176.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -98.83 38.4 1.38 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 122.344 1.069 . . . . 1.0 109.25 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 113.87 -1.513 . . . . 1.0 109.696 -177.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 N-CA-C 112.645 -0.182 . . . . 1.0 112.645 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.4 pt -101.1 21.46 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.604 0.716 . . . . 1.0 109.647 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . 0.449 ' HB2' ' CE2' ' A' 2298 ' ' PHE . 10.0 p-10 -141.11 147.2 46.47 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.025 -0.989 . . . . 1.0 110.356 -172.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.86 -11.11 10.26 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.672 2.248 . . . . 1.0 114.023 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . 0.521 ' HD1' ' H ' ' A' 2300 ' ' ASP . 25.8 p90 -92.96 -29.46 15.85 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 112.716 0.636 . . . . 1.0 112.716 -172.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 31.8 p 48.78 40.0 15.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.354 0.662 . . . . 1.0 111.836 177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.521 ' H ' ' HD1' ' A' 2298 ' ' PHE . 10.9 t70 -84.21 125.65 71.75 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.542 -0.753 . . . . 1.0 110.699 -176.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . 0.406 ' HB2' ' OD2' ' A' 2386 ' ' ASP . 18.6 Cg_endo -60.33 -36.85 85.88 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.929 2.42 . . . . 1.0 113.198 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 34.9 p -77.71 -34.37 52.75 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.935 -0.306 . . . . 1.0 110.894 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' 2306 ' ' GLU . 60.1 t -68.97 -33.91 61.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 1.0 110.401 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' 2300 ' ' ASP . 81.1 mt -63.07 -37.39 79.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.232 -0.44 . . . . 1.0 109.9 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . . . . . . . . . . . -70.74 -41.37 71.89 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.385 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' 2303 ' ' VAL . 5.1 tp10 -48.75 -49.97 35.91 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.523 174.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -65.98 -32.71 74.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.371 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -74.82 -42.14 58.58 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.616 0.228 . . . . 1.0 111.616 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 90.2 mt -65.75 -44.96 84.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.606 0.241 . . . . 1.0 110.63 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.62 -26.14 65.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.873 0.368 . . . . 1.0 111.052 176.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.54 -45.26 60.36 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.639 -0.791 . . . . 1.0 111.608 176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -70.91 -32.79 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 1.0 110.761 178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -55.59 -45.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.95 -0.568 . . . . 1.0 111.144 178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -59.55 -34.83 73.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.306 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.24 -41.87 76.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.667 179.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 60.1 mt -67.75 -37.71 79.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.306 178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' 2313 ' ' ALA . 52.6 mt-10 -65.41 -35.48 81.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.596 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.82 79.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.051 0.453 . . . . 1.0 110.326 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -67.19 -42.15 84.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.2 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -62.65 -31.64 72.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.281 174.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -65.98 -39.94 90.8 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.228 -0.897 . . . . 1.0 110.005 -177.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.708 ' O ' ' HG ' ' A' 2326 ' ' LEU . 60.7 mttm -61.48 -52.53 64.11 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.997 -0.742 . . . . 1.0 108.997 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 6.4 mp -57.04 -52.56 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.535 -1.211 . . . . 1.0 112.968 -178.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . 0.46 ' HA ' ' HE2' ' A' 2350 ' ' LYS . 50.5 mt-10 -69.23 -22.68 63.85 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.762 0.282 . . . . 1.0 111.762 -175.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -100.53 4.87 43.88 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.855 -0.338 . . . . 1.0 111.373 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' 2322 ' ' LYS . 45.9 mt -81.69 143.74 31.66 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 172.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 64.3 tttp -137.7 113.32 9.22 Favored Pre-proline 0 C--N 1.316 -0.852 0 N-CA-C 110.132 -0.321 . . . . 1.0 110.132 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.495 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 36.2 Cg_exo -60.55 132.1 41.49 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.525 2.15 . . . . 1.0 111.277 178.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -63.88 100.69 0.32 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.684 -0.487 . . . . 1.0 109.684 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -129.93 142.79 50.6 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.867 -176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -100.78 151.84 37.7 Favored Pre-proline 0 C--N 1.316 -0.86 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.235 178.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -68.61 90.29 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.691 2.261 . . . . 1.0 110.964 176.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -156.08 137.54 14.02 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.873 -176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -90.72 99.59 12.6 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.584 -0.895 . . . . 1.0 108.584 174.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -133.14 132.74 42.0 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.565 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.39 97.91 0.31 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.457 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -108.75 149.84 28.45 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.401 0.619 . . . . 1.0 111.362 -174.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 52.8 m -133.96 29.52 3.76 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.304 1.05 . . . . 1.0 108.413 170.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 92.8 mt -123.71 32.46 5.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.692 -1.595 . . . . 1.0 109.463 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.471 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.7 m120 -90.79 19.91 5.15 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.584 -0.734 . . . . 1.0 109.524 -177.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' 2345 ' ' ILE . 79.6 t80 -50.17 -53.01 30.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.278 -0.874 . . . . 1.0 111.501 -178.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.447 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 2.7 mp0 -51.87 -37.02 50.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.156 0.503 . . . . 1.0 111.21 179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.495 ' HG2' ' HG2' ' A' 2328 ' ' PRO . 39.3 mt-10 -77.35 -50.23 13.22 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.575 -0.739 . . . . 1.0 110.926 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.471 ' HG3' ' O ' ' A' 2340 ' ' ASN . 78.0 mt-30 -59.4 -33.53 71.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.081 0.467 . . . . 1.0 110.465 -178.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.68 HG23 HD11 ' A' 2470 ' ' LEU . 26.6 mm -72.06 -48.8 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.642 -0.708 . . . . 1.0 110.531 175.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.69 ' HG ' ' HE3' ' A' 2350 ' ' LYS . 40.2 tp -57.96 -41.39 82.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.522 -0.308 . . . . 1.0 110.739 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 2343 ' ' GLU . 9.6 mm-40 -51.97 -60.31 3.34 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.392 0.615 . . . . 1.0 111.971 175.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -71.01 -23.8 62.25 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.228 -0.896 . . . . 1.0 109.878 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.49 78.98 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.079 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.69 ' HE3' ' HG ' ' A' 2346 ' ' LEU . 98.1 mttt -60.0 -37.4 79.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.967 -0.56 . . . . 1.0 109.919 175.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 26.4 m -60.91 -50.75 72.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 1.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.24 -52.27 62.21 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.489 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.521 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.35 -39.64 73.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.842 0.353 . . . . 1.0 111.833 -177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -74.4 -44.11 53.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.235 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -68.46 -37.66 80.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.329 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.65 HG21 HG21 ' A' 2404 ' ' THR . 13.6 p -67.7 -43.71 79.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.825 0.345 . . . . 1.0 111.328 -178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 8.8 p -66.68 -29.23 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.606 178.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -74.38 -36.61 63.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.423 -0.353 . . . . 1.0 110.273 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 65.1 tp -64.42 -48.69 74.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.53 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 11.5 p -63.61 -32.13 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-O 120.797 0.332 . . . . 1.0 111.077 -177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -74.3 -38.57 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.412 . . . . 1.0 110.111 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -63.46 -31.67 72.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.774 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.9 98.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.83 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 7.8 t -73.02 -39.47 65.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.959 0.409 . . . . 1.0 109.986 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -62.18 -37.46 85.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.03 -0.532 . . . . 1.0 109.963 175.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . . . . . . . . . . . -60.01 -49.31 78.19 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.191 175.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.584 ' HG2' ' CH2' ' A' 2389 ' ' TRP . 45.6 mt-30 -50.86 -55.26 17.85 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.384 177.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -53.4 -41.15 65.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.799 -0.637 . . . . 1.0 112.14 -174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.82 -48.37 63.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.933 -0.307 . . . . 1.0 111.216 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 2370 ' ' LEU . 3.3 mm? -61.94 -35.56 78.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.13 0.491 . . . . 1.0 110.149 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.572 HG13 ' HB1' ' A' 2378 ' ' ALA . 38.2 t -61.02 -53.07 54.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.492 -0.776 . . . . 1.0 110.924 174.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.64 75.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.064 -0.516 . . . . 1.0 111.356 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -78.91 -16.63 56.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 81.12 26.87 51.55 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.054 -0.593 . . . . 1.0 112.792 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -80.2 -20.66 44.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.717 0.294 . . . . 1.0 111.488 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 5.5 t -119.58 161.27 19.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -70.34 65.68 0.76 Allowed Glycine 0 C--N 1.332 0.31 0 C-N-CA 121.207 -0.52 . . . . 1.0 112.029 174.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.572 ' HB1' HG13 ' A' 2371 ' ' VAL . . . -81.22 33.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.256 0.55 . . . . 1.0 111.603 -174.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' 2381 ' ' ALA . 34.1 mm -130.21 133.62 25.15 Favored Pre-proline 0 C--N 1.317 -0.809 0 N-CA-C 108.107 -1.071 . . . . 1.0 108.107 178.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -45.6 -36.71 14.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 122.938 2.425 . . . . 1.0 112.955 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' 2379 ' ' ILE . . . -68.73 -24.0 64.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 1.0 111.842 177.361 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -113.56 23.84 12.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.313 0.577 . . . . 1.0 110.019 -178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.52 -18.12 61.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.266 -0.879 . . . . 1.0 111.537 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 46.4 tp -55.63 -54.96 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.677 0.275 . . . . 1.0 110.417 174.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 26.0 t70 -61.81 -53.68 52.64 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.943 -0.572 . . . . 1.0 111.179 -177.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 2301 ' ' PRO . 22.7 t70 -65.15 -41.67 94.52 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 116.253 -0.43 . . . . 1.0 111.056 -178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -58.9 -22.55 54.85 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 116.109 -0.496 . . . . 1.0 113.356 -175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -82.44 -31.75 29.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 117.3 0.55 . . . . 1.0 109.702 176.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.584 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 40.9 t90 -81.69 -52.07 7.54 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.326 -0.852 . . . . 1.0 111.087 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.401 ' O ' HG13 ' A' 2394 ' ' ILE . 14.2 p -69.06 -31.99 71.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.459 -0.337 . . . . 1.0 111.173 -175.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.68 -44.83 93.46 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 120.903 0.382 . . . . 1.0 110.176 177.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.15 89.79 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.806 -0.711 . . . . 1.0 111.549 177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 38.6 tp -66.19 -46.71 76.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.933 0.397 . . . . 1.0 110.401 178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' 2390 ' ' SER . 83.0 mt -65.41 -45.08 94.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.91 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 22.8 t -60.19 -41.5 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.899 0.38 . . . . 1.0 110.329 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.565 ' O ' HG13 ' A' 2400 ' ' VAL . . . -66.74 -36.63 82.9 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.648 177.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.405 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -62.77 -45.49 92.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.256 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.07 -34.62 75.19 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.228 0.537 . . . . 1.0 110.179 175.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.438 ' HE2' ' HB3' ' A' 2399 ' ' MET . 44.4 ttp -68.94 -49.62 56.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.615 -0.72 . . . . 1.0 111.037 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.614 HG21 HD22 ' A' 2438 ' ' LEU . 5.5 m -66.33 -36.42 77.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.131 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -62.55 -40.47 96.94 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.565 -0.289 . . . . 1.0 110.485 178.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -73.56 -47.24 42.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.595 -0.275 . . . . 1.0 110.621 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -59.75 -52.43 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.395 -178.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.662 HG22 HG13 ' A' 2431 ' ' VAL . 60.8 p -67.74 -25.86 65.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.666 -177.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.509 ' HB2' ' O ' ' A' 2401 ' ' ALA . 66.6 t30 -75.89 -37.86 58.4 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.086 0.47 . . . . 1.0 109.952 179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m-80 -65.13 -35.86 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.048 175.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.497 ' HB2' HG21 ' A' 2431 ' ' VAL . 34.1 tp -68.46 -36.03 78.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.729 -0.669 . . . . 1.0 109.99 175.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.448 ' HB3' ' O ' ' A' 2405 ' ' ASN . 5.8 t -57.77 -45.76 85.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.184 173.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.65 -35.85 81.96 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.738 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -65.83 -48.11 72.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.609 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.46 -46.84 86.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.652 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -56.39 -41.07 75.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.383 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -67.41 -44.02 79.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.936 0.398 . . . . 1.0 110.818 178.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.76 -46.12 90.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.816 -0.629 . . . . 1.0 111.748 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' 2411 ' ' ALA . 39.0 t -63.95 -33.28 61.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.449 . . . . 1.0 111.592 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -92.64 4.72 53.12 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.303 0.483 . . . . 1.0 112.303 -171.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 104.63 16.27 18.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.236 -0.983 . . . . 1.0 114.073 172.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -130.64 75.64 1.67 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.308 0.575 . . . . 1.0 109.619 174.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.29 150.75 22.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.714 -0.676 . . . . 1.0 111.968 -172.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.495 ' HB3' ' HE2' ' A' 2423 ' ' LYS . 44.6 t -145.54 100.13 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.877 -0.786 . . . . 1.0 108.877 171.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -27.74 67.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.524 -179.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -65.52 -52.53 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.706 0.289 . . . . 1.0 110.526 178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.495 ' HE2' ' HB3' ' A' 2420 ' ' SER . 46.3 mtmt -63.26 -39.25 94.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.988 0.423 . . . . 1.0 110.163 178.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . 0.41 HD21 HD12 ' A' 2345 ' ' ILE . 26.6 tp -63.52 -47.6 80.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.093 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.565 HG23 HG13 ' A' 2471 ' ' VAL . 67.4 mt -58.1 -47.75 86.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.49 -0.323 . . . . 1.0 110.618 177.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 37.9 t -60.69 -54.22 47.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.347 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.541 ' O ' HG23 ' A' 2431 ' ' VAL . 23.1 t -54.6 -47.54 73.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.937 -0.574 . . . . 1.0 111.085 -176.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.76 83.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 1.0 111.051 -175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.32 -41.2 94.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.732 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.44 -41.77 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.812 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.662 HG13 HG22 ' A' 2404 ' ' THR . 49.0 t -56.39 -53.51 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.887 177.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.476 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -56.23 -44.27 79.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.224 -179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.16 -46.63 67.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 1.0 111.521 -176.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 48.8 m -67.89 -40.18 83.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.439 -0.346 . . . . 1.0 111.237 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.582 ' HA ' ' CG1' ' A' 2400 ' ' VAL . 17.1 m -74.64 -39.69 61.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.823 0.344 . . . . 1.0 111.316 -175.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.17 -26.83 68.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.274 0.559 . . . . 1.0 110.171 177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -72.08 -23.21 61.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.82 177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.614 HD22 HG21 ' A' 2400 ' ' VAL . 63.8 tp -61.74 -34.58 76.07 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.43 -0.582 . . . . 1.0 109.43 175.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.4 mp -62.12 -48.83 78.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.162 173.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.482 ' HA ' ' HD2' ' A' 2443 ' ' LYS . 43.4 t -55.88 -37.95 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.858 -177.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.04 78.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.841 -0.618 . . . . 1.0 111.289 178.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 48.5 t -76.76 -37.63 55.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.715 -0.22 . . . . 1.0 110.501 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.553 ' HE2' ' HB3' ' A' 2439 ' ' LEU . 62.0 mttm -54.31 -20.19 6.73 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.869 0.692 . . . . 1.0 112.869 -178.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . . . . . . . . . 60.9 t -56.52 -52.77 49.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.646 0.26 . . . . 1.0 111.149 177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -99.56 -25.67 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.551 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -70.3 129.48 39.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 1.0 111.314 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.665 ' HB3' ' OG ' ' A' 2450 ' ' SER . 22.8 t70 -71.11 144.01 50.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.194 179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.68 -28.38 69.04 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.547 -173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -92.75 -10.41 37.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.078 0.465 . . . . 1.0 110.908 -177.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' 2447 ' ' ASP . 71.9 m -62.29 131.81 50.58 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.819 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . 0.426 ' HA ' ' HE3' ' A' 2454 ' ' LYS . 43.0 tp10 -55.71 -38.46 69.75 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.865 -174.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.18 -31.72 70.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.844 0.354 . . . . 1.0 111.135 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 5.0 tmm? -67.16 -42.62 83.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.019 -0.537 . . . . 1.0 109.846 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' 2451 ' ' GLU . 0.0 OUTLIER -62.59 -43.52 98.61 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.451 -0.341 . . . . 1.0 110.765 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -62.44 -45.91 90.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.141 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . . . . . . . . . 5.8 mt -53.89 -49.68 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.997 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -58.23 -47.3 83.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.577 -0.738 . . . . 1.0 111.001 -178.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -60.88 -46.73 89.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 1.0 111.431 -178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.55 93.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.0 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.535 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -66.26 -41.46 94.71 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.951 -0.642 . . . . 1.0 111.939 176.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -57.49 -41.41 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.023 0.44 . . . . 1.0 109.871 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -60.35 -40.72 91.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.764 -0.653 . . . . 1.0 111.471 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . . . . . . . . . 10.9 t -61.29 -52.21 64.05 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.362 0 CA-C-O 121.058 0.456 . . . . 1.0 109.844 178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 28.6 tptp -57.36 -46.3 83.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.123 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -64.05 -48.47 76.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.174 -0.466 . . . . 1.0 111.049 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -67.67 -36.48 80.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.22 -177.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.476 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 44.8 m -68.38 -43.69 76.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.739 0.304 . . . . 1.0 110.236 178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -42.45 98.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.709 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 42.2 t30 -61.88 -41.68 98.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.149 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.68 HD11 HG23 ' A' 2345 ' ' ILE . 13.4 tp -61.59 -43.87 98.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.143 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.565 HG13 HG23 ' A' 2425 ' ' ILE . 62.6 t -59.65 -46.76 92.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.537 175.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -57.56 -49.06 77.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.832 -0.622 . . . . 1.0 110.439 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -60.19 -34.63 73.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.82 0.343 . . . . 1.0 110.976 -178.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.51 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -66.27 -35.08 79.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.154 178.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.51 HE21 HG12 ' A' 2471 ' ' VAL . 67.7 mt-30 -62.72 -29.65 70.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.322 0.582 . . . . 1.0 110.077 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.74 -13.78 59.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.276 -0.875 . . . . 1.0 111.187 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.57 4.48 53.51 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 121.67 0.747 . . . . 1.0 110.112 176.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -135.98 -165.78 1.76 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.976 -1.011 . . . . 1.0 110.235 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -143.03 93.93 2.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.061 0.458 . . . . 1.0 110.823 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -105.18 18.36 22.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.042 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 41.15 51.72 3.42 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 114.952 -1.022 . . . . 1.0 112.036 -176.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 17.2 t0 . . . . . 0 C--O 1.247 0.96 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.947 179.519 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . 0.595 ' N ' ' HG1' ' A' 2299 ' ' THR . . . . . . . . 0 N--CA 1.485 1.964 0 N-CA-C 112.676 -0.17 . . . . 1.0 112.676 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . 0.503 ' H ' HD13 ' A' 2295 ' ' ILE . 0.2 OUTLIER -62.95 -27.6 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.024 0.44 . . . . 1.0 111.119 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -89.56 153.04 47.9 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.929 -0.578 . . . . 1.0 110.599 178.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -83.53 15.81 2.04 Favored 'Trans proline' 0 C--N 1.331 -0.383 0 C-N-CA 123.428 2.752 . . . . 1.0 113.217 177.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -109.99 -28.69 8.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.857 0.36 . . . . 1.0 111.69 -174.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . 0.595 ' HG1' ' N ' ' A' 2294 ' ' GLY . 4.9 p -85.6 65.51 9.2 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.219 0.533 . . . . 1.0 111.407 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.43 ' O ' HG13 ' A' 2304 ' ' ILE . 14.3 m-20 -69.88 121.03 81.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.751 -0.658 . . . . 1.0 109.786 176.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.12 -35.29 81.53 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 1.0 112.511 -176.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 4.4 p -68.68 -40.98 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.562 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 45.0 t -73.12 -34.02 43.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.111 0.482 . . . . 1.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' 2300 ' ' ASP . 78.2 mt -61.38 -53.0 54.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.859 -0.61 . . . . 1.0 109.361 172.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -58.31 -35.62 72.13 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.759 -0.655 . . . . 1.0 111.183 178.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.544 ' HG3' ' OG ' ' A' 2364 ' ' SER . 35.8 tt0 -56.4 -52.58 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.33 177.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -65.45 -32.77 74.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.97 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -62.78 -42.28 99.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.186 175.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' 2305 ' ' ALA . 96.1 mt -68.31 -48.42 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.85 178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' 2306 ' ' GLU . 9.5 mp -54.32 -43.87 71.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.267 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -64.38 -42.9 97.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.237 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . 0.458 ' HB2' ' NH1' ' A' 2398 ' ' ARG . . . -62.33 -41.2 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 1.0 110.827 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.403 ' HB2' ' HB ' ' A' 2360 ' ' VAL . . . -62.63 -40.41 96.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.946 178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.7 76.14 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -64.6 -39.95 94.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.559 177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.8 -37.76 70.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.325 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 2313 ' ' ALA . 45.3 mt-10 -59.88 -36.15 76.32 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.255 176.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -66.84 -34.22 77.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.992 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -66.87 -45.21 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.946 0.403 . . . . 1.0 110.157 175.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.406 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.46 -32.38 72.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.661 176.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -66.31 -38.76 88.45 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.061 178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -69.6 -34.35 73.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.311 0.576 . . . . 1.0 109.948 175.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.584 ' HB3' ' HG2' ' A' 2350 ' ' LYS . 54.3 mt -66.2 -24.53 66.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.493 177.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -76.19 -33.48 59.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.904 0.383 . . . . 1.0 110.357 175.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -67.26 -28.12 67.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.042 179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.517 HD21 ' ND2' ' A' 2412 ' ' ASN . 99.1 mt -66.64 106.97 1.96 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.645 -0.872 . . . . 1.0 108.645 170.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -125.21 101.76 31.3 Favored Pre-proline 0 C--N 1.318 -0.761 0 CA-C-N 115.869 -0.605 . . . . 1.0 111.34 -168.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -89.54 95.46 0.32 Allowed 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 123.369 2.713 . . . . 1.0 111.856 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 53.7 mtt180 -134.18 12.4 3.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.295 0.569 . . . . 1.0 110.267 177.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -137.29 119.7 15.85 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.402 -0.817 . . . . 1.0 110.061 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -69.47 153.29 95.92 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.58 -0.736 . . . . 1.0 110.101 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -64.63 90.53 0.18 Allowed 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.76 2.307 . . . . 1.0 112.012 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 95.1 mttt 67.45 -168.16 0.2 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.329 -0.851 . . . . 1.0 111.042 177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -82.82 -179.31 7.4 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.121 -0.696 . . . . 1.0 109.121 174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 63.61 83.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.353 0.597 . . . . 1.0 109.844 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.89 109.87 0.24 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.466 -1.243 . . . . 1.0 113.121 -176.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -109.47 143.0 39.69 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.517 -0.919 . . . . 1.0 108.517 169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 31.9 m -78.53 72.89 5.08 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.276 0.56 . . . . 1.0 110.65 -178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 80.5 mt -110.25 90.72 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.596 -0.729 . . . . 1.0 109.783 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.592 ' O ' ' HG3' ' A' 2344 ' ' GLN . 18.1 m120 -124.34 13.33 8.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.333 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.568 ' O ' HG12 ' A' 2345 ' ' ILE . 63.3 t80 -56.26 -49.91 72.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.839 -179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' 2415 ' ' VAL . 4.1 mp0 -57.54 -39.66 77.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.868 178.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' A' 2347 ' ' GLU . 49.6 mt-10 -65.39 -42.18 92.93 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.122 178.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' 2340 ' ' ASN . 62.7 mt-30 -66.51 -33.46 75.73 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 1.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.674 HG23 HD11 ' A' 2470 ' ' LEU . 37.6 mm -70.68 -46.01 71.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.006 175.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 50.3 tp -60.83 -50.71 72.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.513 -0.767 . . . . 1.0 111.678 -176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.9 pt-20 -55.25 -49.92 70.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 111.24 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.515 ' O ' HG13 ' A' 2352 ' ' ILE . . . -66.09 -41.85 90.1 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.68 -175.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.84 -41.5 97.88 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.817 177.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.584 ' HG2' ' HB3' ' A' 2323 ' ' LEU . 59.9 mtpt -63.64 -41.41 98.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.424 177.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 74.2 m -60.4 -40.77 92.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.855 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.591 HG23 HG13 ' A' 2463 ' ' VAL . 72.1 mt -63.82 -52.39 57.68 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.263 -0.273 . . . . 1.0 110.263 175.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.406 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -57.44 -39.88 77.22 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.834 0.35 . . . . 1.0 111.49 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.79 63.44 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.823 0.344 . . . . 1.0 111.072 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -71.87 -32.65 67.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.717 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.651 HG22 HG21 ' A' 2435 ' ' THR . 17.6 p -71.63 -45.64 61.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.804 0.335 . . . . 1.0 111.309 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 14.9 p -63.59 -41.62 98.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -63.73 -32.98 74.64 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.494 174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' 2356 ' ' THR . 55.2 tp -63.19 -47.55 82.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.883 177.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' 2356 ' ' THR . 29.3 t -64.14 -36.13 75.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.108 0.48 . . . . 1.0 110.269 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 66.0 mttm -67.13 -43.12 83.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.925 -0.579 . . . . 1.0 110.178 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.55 76.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.937 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . . . . . . . . . . . -59.26 -55.01 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.056 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.544 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 30.4 t -55.22 -45.23 75.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.019 175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -60.9 -49.48 77.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.508 -0.315 . . . . 1.0 111.224 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.602 ' O ' HD22 ' A' 2370 ' ' LEU . . . -61.49 -51.52 68.32 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-O 120.984 0.421 . . . . 1.0 110.082 178.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.582 ' O ' HG23 ' A' 2371 ' ' VAL . 9.9 tt0 -52.49 -44.83 65.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.399 177.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . 0.489 ' HD3' ' OE1' ' A' 2306 ' ' GLU . 7.7 tpt180 -63.02 -28.34 70.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.545 -0.298 . . . . 1.0 111.137 -178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -67.19 -41.03 86.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.755 0.312 . . . . 1.0 110.284 177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.602 HD22 ' O ' ' A' 2366 ' ' ALA . 0.8 OUTLIER -70.72 -32.93 70.29 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.859 -0.423 . . . . 1.0 109.859 178.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.612 HG13 ' HB1' ' A' 2378 ' ' ALA . 93.5 t -60.02 -43.9 93.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.558 -0.747 . . . . 1.0 110.319 174.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -68.36 -50.77 50.81 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.906 -0.588 . . . . 1.0 111.884 -179.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' 2370 ' ' LEU . 3.2 pt20 -76.67 -16.52 59.51 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 111.968 0.359 . . . . 1.0 111.968 -175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 83.81 50.71 4.3 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.652 -0.785 . . . . 1.0 112.648 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 2370 ' ' LEU . 49.1 tttp -102.44 -34.85 9.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.176 0.512 . . . . 1.0 110.042 176.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.415 HG23 ' HB2' ' A' 2378 ' ' ALA . 25.9 m -92.92 -173.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.143 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . 0.568 ' HA3' ' HB2' ' A' 2386 ' ' ASP . . . -67.21 -61.77 4.91 Favored Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.043 -1.075 . . . . 1.0 110.648 175.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 63.36 6.44 2.46 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.563 0.745 . . . . 1.0 112.806 173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.529 HG22 ' H ' ' A' 2381 ' ' ALA . 5.9 mm -141.41 137.21 16.32 Favored Pre-proline 0 C--N 1.316 -0.861 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 -175.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -52.68 -26.12 28.71 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.721 2.281 . . . . 1.0 112.514 174.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.529 ' H ' HG22 ' A' 2379 ' ' ILE . . . -73.41 -27.03 61.23 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 1.0 111.183 178.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -102.11 13.82 33.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.19 0.519 . . . . 1.0 109.949 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -65.54 -17.19 64.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.299 -0.864 . . . . 1.0 112.235 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -52.56 -58.75 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.919 -0.4 . . . . 1.0 109.919 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -81.65 -47.1 13.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.142 0.496 . . . . 1.0 111.308 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . 0.568 ' HB2' ' HA3' ' A' 2377 ' ' GLY . 12.9 t70 -67.75 -34.97 77.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.677 -173.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.32 -26.39 69.39 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.877 -0.678 . . . . 1.0 112.281 -179.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -82.05 -31.04 31.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.069 0.462 . . . . 1.0 109.758 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . . . . . . . . . 44.9 t90 -74.06 -49.78 22.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.388 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.475 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 19.7 p -61.94 -50.45 72.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.557 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -61.98 -35.98 80.11 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.739 0.304 . . . . 1.0 110.967 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -67.95 -44.68 77.68 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.71 -0.757 . . . . 1.0 111.493 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 59.3 tp -57.1 -43.42 82.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.161 0.505 . . . . 1.0 110.309 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' 2305 ' ' ALA . 97.9 mt -61.14 -46.89 95.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.915 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 34.7 m -60.82 -41.34 95.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.74 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.69 -37.52 86.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.596 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.423 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -65.46 -38.21 89.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.79 177.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.458 ' NH1' ' HB2' ' A' 2312 ' ' ALA . 7.7 mpt_? -64.18 -37.74 88.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.247 0.546 . . . . 1.0 109.861 174.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.7 ttt -66.03 -48.81 69.87 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.363 -0.835 . . . . 1.0 111.077 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.513 HG21 HD22 ' A' 2438 ' ' LEU . 10.3 m -66.25 -35.62 75.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.566 -0.453 . . . . 1.0 110.296 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.67 -27.03 67.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.78 -0.191 . . . . 1.0 111.183 179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.88 -51.37 9.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.98 0.419 . . . . 1.0 110.452 176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.67 -51.27 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.772 -0.649 . . . . 1.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.62 HG21 HG21 ' A' 2356 ' ' THR . 65.4 p -67.15 -29.23 68.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 1.0 110.879 -177.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 2401 ' ' ALA . 7.5 t30 -66.96 -43.72 82.38 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-O 121.3 0.572 . . . . 1.0 109.46 178.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.71 -36.65 84.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.003 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.52 ' HB2' HG21 ' A' 2431 ' ' VAL . 28.5 tp -69.94 -33.63 72.38 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.159 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . . . . . . . . . 44.6 t -62.0 -37.65 85.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.052 174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -71.36 -41.4 69.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.704 177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -59.25 -46.1 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.419 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.632 ' O ' HG23 ' A' 2415 ' ' VAL . . . -63.37 -43.58 97.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.891 175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.517 ' ND2' HD21 ' A' 2326 ' ' LEU . 3.3 t-20 -53.7 -49.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.869 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.96 92.77 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 1.0 111.221 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -59.06 -47.2 86.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.236 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' 2411 ' ' ALA . 17.9 t -60.0 -31.31 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-O 121.334 0.587 . . . . 1.0 110.905 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -83.86 -6.08 59.35 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.472 -0.786 . . . . 1.0 111.54 -175.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 97.63 26.28 10.03 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.804 -0.712 . . . . 1.0 112.581 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 83.8 t60 -130.42 78.36 1.84 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.567 -0.531 . . . . 1.0 109.567 176.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -100.32 155.72 17.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.231 0.539 . . . . 1.0 111.516 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.753 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 15.8 m -146.08 94.5 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.534 -0.913 . . . . 1.0 108.534 172.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -55.05 -36.78 65.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 1.0 111.274 -174.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -57.66 -57.1 14.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.882 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.753 ' HG2' ' HB2' ' A' 2420 ' ' SER . 59.2 pttt -74.04 -27.69 61.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 1.0 110.711 -177.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 40.8 tp -67.13 -50.89 59.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.407 HG23 HG13 ' A' 2471 ' ' VAL . 79.2 mt -62.14 -46.51 96.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.491 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 15.8 t -61.58 -51.07 70.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.01 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.523 ' O ' HG23 ' A' 2431 ' ' VAL . 12.3 t -67.43 -31.69 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.797 -0.183 . . . . 1.0 111.001 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.07 -40.99 95.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.204 0.526 . . . . 1.0 110.141 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.31 -35.57 78.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.209 178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -64.33 -45.88 85.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.356 176.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.56 HG13 HG22 ' A' 2404 ' ' THR . 72.1 t -58.27 -52.73 55.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.562 177.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' 2467 ' ' SER . . . -58.17 -34.39 70.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.622 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -76.53 -52.13 10.36 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.94 -0.304 . . . . 1.0 111.07 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . . . . . . . . . 23.1 m -67.26 -36.67 82.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.394 -0.366 . . . . 1.0 111.376 -175.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.651 HG21 HG22 ' A' 2356 ' ' THR . 26.1 m -72.44 -41.26 66.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.967 0.413 . . . . 1.0 111.039 -177.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.771 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.81 -25.54 67.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.228 0.537 . . . . 1.0 110.379 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -69.93 -25.54 63.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.734 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.513 HD22 HG21 ' A' 2400 ' ' VAL . 55.4 tp -62.57 -34.01 76.1 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.272 -0.64 . . . . 1.0 109.272 175.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.775 HD23 ' HA ' ' A' 2457 ' ' GLN . 6.7 mp -67.61 -37.35 82.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.588 175.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.585 ' O ' HG23 ' A' 2444 ' ' VAL . 61.6 t -59.5 -48.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.982 -0.553 . . . . 1.0 109.909 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.98 -40.66 81.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.569 -0.742 . . . . 1.0 111.378 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 65.1 m -65.38 -48.4 73.03 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.493 -0.321 . . . . 1.0 110.878 178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.481 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 36.7 mtmm -66.19 -18.79 65.57 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -175.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 2440 ' ' VAL . 89.8 t -55.65 -33.64 33.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 CA-C-O 121.199 0.523 . . . . 1.0 110.762 175.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.556 ' O ' ' HG ' ' A' 2370 ' ' LEU . 6.0 mptp? -121.69 12.55 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.163 -0.471 . . . . 1.0 111.52 -178.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -119.88 148.41 43.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.818 0.342 . . . . 1.0 111.355 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.2 143.44 29.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.212 175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -73.6 -26.16 60.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.277 178.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -87.27 62.38 7.21 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.631 0.729 . . . . 1.0 110.353 174.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.601 ' O ' ' HG2' ' A' 2454 ' ' LYS . 30.3 t -140.32 133.13 29.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.868 -1.06 . . . . 1.0 108.983 177.082 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . 0.425 ' HA ' ' HG2' ' A' 2454 ' ' LYS . 0.3 OUTLIER -71.14 -30.64 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.783 0.325 . . . . 1.0 110.759 -178.319 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.52 84.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.209 0.528 . . . . 1.0 109.584 172.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . . . . . . . . . 1.7 tmt? -67.77 -39.39 84.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.146 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.3 mmtp -55.36 -47.43 75.79 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.77 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -66.87 -42.83 84.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.553 178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.44 HD23 ' HG ' ' A' 2439 ' ' LEU . 5.8 tt -57.01 -52.64 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.728 -0.669 . . . . 1.0 110.003 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.775 ' HA ' HD23 ' A' 2439 ' ' LEU . 7.2 tp60 -61.28 -38.16 85.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.462 -179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -66.54 -37.15 84.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.856 -0.611 . . . . 1.0 111.326 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' 2463 ' ' VAL . . . -64.11 -46.76 82.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.738 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.536 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.88 -37.77 94.71 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.955 -0.641 . . . . 1.0 112.027 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -59.32 -42.51 91.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.52 -0.548 . . . . 1.0 109.52 176.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -62.88 -37.31 86.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.516 -0.766 . . . . 1.0 111.493 177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.591 HG13 HG23 ' A' 2352 ' ' ILE . 9.6 t -61.24 -53.01 54.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.262 0 N-CA-C 109.738 -0.468 . . . . 1.0 109.738 177.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . . . . . . . . . 45.3 tptt -57.86 -46.0 85.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.4 -0.818 . . . . 1.0 110.785 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -62.66 -50.97 69.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.088 -178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.28 86.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.977 -0.556 . . . . 1.0 111.532 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.45 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 50.3 m -67.76 -41.37 83.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.0 110.227 178.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.96 -42.17 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.994 0.426 . . . . 1.0 110.465 177.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -61.31 -37.36 82.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.632 -0.713 . . . . 1.0 110.01 175.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.674 HD11 HG23 ' A' 2345 ' ' ILE . 18.2 tp -63.64 -43.8 95.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.483 -0.78 . . . . 1.0 109.746 176.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' 2475 ' ' GLN . 52.0 t -57.15 -50.78 75.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.335 174.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . 0.624 ' HA ' HE21 ' A' 2475 ' ' GLN . 2.0 tmtp? -52.52 -51.34 60.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.684 177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 2476 ' ' LYS . . . -62.47 -39.18 92.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.887 0.375 . . . . 1.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.475 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -64.67 -33.14 75.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.787 177.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.624 HE21 ' HA ' ' A' 2472 ' ' LYS . 48.2 mt-30 -67.4 -26.26 66.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.313 178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' 2473 ' ' ALA . 96.1 mttt -64.03 -39.82 94.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.529 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -94.33 8.7 40.99 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.271 0.558 . . . . 1.0 111.248 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -111.57 -27.33 8.61 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.723 -0.671 . . . . 1.0 110.392 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . 66.1 86.06 0.13 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.41 -0.813 . . . . 1.0 111.565 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -100.89 15.53 28.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 1.0 110.914 178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -108.46 83.33 1.76 Allowed 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.618 -1.253 . . . . 1.0 107.618 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.245 0.821 0 CA-C-N 114.999 -1.0 . . . . 1.0 110.85 -173.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.176 -0.77 . . . . 1.0 111.176 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 42.3 mt -78.36 73.41 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.423 0.63 . . . . 1.0 109.412 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -148.29 152.06 38.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.384 -0.825 . . . . 1.0 110.144 -178.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.94 12.99 1.08 Allowed 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.541 2.827 . . . . 1.0 113.924 -177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -107.72 -71.85 0.74 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.695 0.283 . . . . 1.0 110.767 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 59.2 p 48.01 73.96 0.19 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.172 -0.922 . . . . 1.0 111.462 -174.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.526 ' O ' HG13 ' A' 2304 ' ' ILE . 8.2 m-20 -81.02 132.32 57.17 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.597 -0.729 . . . . 1.0 109.54 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -59.31 -48.32 14.11 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.772 2.314 . . . . 1.0 111.428 -176.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 32.2 p -57.36 -42.06 81.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.05 -0.977 . . . . 1.0 111.494 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . . . . . . . . . 47.4 t -71.63 -38.44 67.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.541 -0.3 . . . . 1.0 110.902 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' 2300 ' ' ASP . 76.2 mt -60.34 -43.0 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.665 0.269 . . . . 1.0 110.308 177.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.767 ' HB2' ' HB2' ' A' 2390 ' ' SER . . . -65.31 -39.91 93.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.893 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . 0.42 ' HG3' ' OG ' ' A' 2364 ' ' SER . 34.2 tt0 -56.53 -42.08 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.781 178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -65.64 -30.73 71.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.827 -178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -76.92 -38.91 52.53 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.964 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.51 -51.35 70.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.169 174.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.08 -31.91 72.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.778 0.323 . . . . 1.0 111.11 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -69.35 -43.31 70.77 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.731 -0.747 . . . . 1.0 112.141 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -69.25 -33.87 73.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.359 . . . . 1.0 110.74 178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' 2317 ' ' GLU . . . -56.4 -41.49 76.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.849 -0.614 . . . . 1.0 111.232 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -58.2 -34.28 70.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 1.0 111.529 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.99 78.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.498 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 65.5 mt -71.5 -41.09 72.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.745 -0.662 . . . . 1.0 110.581 178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' 2313 ' ' ALA . 46.3 mt-10 -60.74 -34.99 75.25 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.591 178.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.86 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.903 178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . . . . . . . . . . . -65.42 -46.04 81.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.516 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.529 ' HB2' ' HB1' ' A' 2353 ' ' ALA . . . -61.67 -33.52 74.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.627 176.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -65.52 -43.75 89.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.55 -0.75 . . . . 1.0 109.931 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' 2322 ' ' LYS . 5.1 tmmm? -63.03 -37.58 87.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.852 -0.613 . . . . 1.0 109.612 175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . . . . . . . . . 36.0 mt -64.95 -40.77 95.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.658 -0.701 . . . . 1.0 111.727 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -71.52 -19.26 62.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.96 0.409 . . . . 1.0 111.092 179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -86.17 3.56 42.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.306 0.574 . . . . 1.0 110.331 176.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' 2322 ' ' LYS . 89.6 mt -101.88 151.06 22.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.383 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -155.32 134.42 7.62 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.978 -0.379 . . . . 1.0 109.978 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . 0.516 ' HG2' ' HG2' ' A' 2343 ' ' GLU . 13.2 Cg_exo -69.43 89.74 0.49 Allowed 'Trans proline' 0 N--CA 1.455 -0.753 0 C-N-CA 122.387 2.058 . . . . 1.0 109.605 170.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -79.47 98.0 6.63 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.606 -0.724 . . . . 1.0 111.298 -171.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -134.08 115.01 13.77 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.196 -0.911 . . . . 1.0 109.486 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . 0.483 ' HB3' ' HD2' ' A' 2332 ' ' PRO . 44.3 mtpt -68.99 156.42 91.55 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.345 -178.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' A' 2331 ' ' LYS . 9.6 Cg_endo -53.57 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 123.87 3.046 . . . . 1.0 113.61 -176.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -131.87 130.04 41.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.933 -1.031 . . . . 1.0 108.61 173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -75.03 108.66 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.356 0.598 . . . . 1.0 111.179 -178.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . -132.0 116.87 17.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.343 -0.844 . . . . 1.0 109.279 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.73 112.84 1.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 50.7 97.86 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.468 -0.787 . . . . 1.0 110.619 -165.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 16.3 m -87.55 42.73 1.06 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.159 -171.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . . . . . . . . . 32.4 mt 58.53 59.99 2.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.148 -0.933 . . . . 1.0 109.158 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.55 ' O ' ' HG3' ' A' 2344 ' ' GLN . 17.2 m120 -79.29 -0.51 32.67 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.296 -171.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.653 ' O ' HG12 ' A' 2345 ' ' ILE . 69.3 t80 -53.55 -46.06 70.08 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.898 174.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -58.16 -40.43 81.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.274 178.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.648 ' O ' ' HG2' ' A' 2347 ' ' GLU . 30.5 mt-10 -65.84 -50.75 63.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.767 -0.652 . . . . 1.0 110.725 178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' 2340 ' ' ASN . 88.9 mt-30 -57.64 -37.78 73.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.321 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.653 HG12 ' O ' ' A' 2341 ' ' PHE . 41.3 mm -66.95 -46.78 84.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.346 176.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . . . . . . . . . 47.2 tp -62.33 -52.64 62.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.068 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' 2343 ' ' GLU . 6.0 pt-20 -59.39 -38.79 81.44 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 121.036 -0.266 . . . . 1.0 111.587 -178.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' 2351 ' ' SER . . . -73.59 -37.32 65.49 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 120.524 -0.471 . . . . 1.0 110.688 -177.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -65.17 -42.44 93.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.952 0.406 . . . . 1.0 110.345 175.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . . . . . . . . . 62.8 mtpt -64.83 -35.25 80.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.105 176.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' 2348 ' ' ALA . 22.8 t -56.15 -51.49 67.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.811 -0.632 . . . . 1.0 109.659 174.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . 0.738 HG23 HG13 ' A' 2463 ' ' VAL . 63.1 mt -61.32 -48.77 87.36 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.749 176.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2320 ' ' ALA . . . -56.97 -45.35 82.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.904 0.383 . . . . 1.0 111.611 -179.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.84 71.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.786 0.327 . . . . 1.0 110.907 179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.2 -37.62 78.19 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.297 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2404 ' ' THR . 19.3 p -70.83 -41.64 71.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.373 . . . . 1.0 110.525 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 40.0 t -56.52 -41.8 77.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.651 -0.704 . . . . 1.0 109.858 174.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.71 72.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.549 176.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . 0.447 HD12 HD23 ' A' 2456 ' ' LEU . 58.9 tp -61.29 -51.88 67.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 1.0 111.692 -178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . . . . . . . . . 10.7 p -63.38 -33.65 62.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.866 0.365 . . . . 1.0 111.064 -177.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 92.6 mttt -77.93 -33.03 51.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.841 0.353 . . . . 1.0 110.407 177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -71.31 -30.42 66.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.47 176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -65.47 -45.11 84.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.159 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . 0.42 ' OG ' ' HG3' ' A' 2306 ' ' GLU . 33.4 t -62.94 -38.77 92.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.247 175.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.82 88.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.559 ' HA ' ' HB1' ' A' 2452 ' ' ALA . . . -59.83 -40.05 87.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.492 176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.507 ' O ' HG23 ' A' 2371 ' ' VAL . 22.5 mt-30 -56.45 -51.58 67.92 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.137 -0.483 . . . . 1.0 109.983 175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' 2368 ' ' ARG . 1.8 tpm_? -51.68 -46.09 63.69 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.746 . . . . 1.0 110.877 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.55 ' HG3' ' HB2' ' A' 2452 ' ' ALA . 21.7 mm-40 -69.41 -45.64 68.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.767 178.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . . . . . . . . . 29.4 tp -65.33 -35.69 81.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.679 -0.691 . . . . 1.0 111.508 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' 2367 ' ' GLN . 72.2 t -67.99 -37.59 78.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.943 176.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -66.35 -36.95 84.21 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.274 174.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -71.03 -20.19 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.28 176.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 69.39 36.95 78.97 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.803 -0.635 . . . . 1.0 112.729 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -88.35 0.47 56.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.243 0.545 . . . . 1.0 110.436 176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . 0.499 HG12 ' HG2' ' A' 2445 ' ' LYS . 21.2 m -130.12 172.08 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.28 -0.873 . . . . 1.0 108.835 175.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -67.32 -46.1 73.96 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 176.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.445 ' CB ' HG13 ' A' 2371 ' ' VAL . . . 66.09 13.77 9.28 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 123.207 0.603 . . . . 1.0 111.123 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.451 HG22 ' H ' ' A' 2381 ' ' ALA . 20.7 mm -140.14 135.63 16.42 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 108.814 -0.81 . . . . 1.0 108.814 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.71 -33.93 10.91 Favored 'Trans proline' 0 CA--C 1.535 0.549 0 C-N-CA 123.73 2.953 . . . . 1.0 113.801 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.451 ' H ' HG22 ' A' 2379 ' ' ILE . . . -61.42 -21.47 64.13 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.862 0.363 . . . . 1.0 111.809 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -114.06 25.56 11.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.062 0.458 . . . . 1.0 110.318 -178.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -66.42 -18.51 65.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 1.0 111.667 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.27 -60.76 3.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.637 0.256 . . . . 1.0 111.63 178.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -75.5 -43.53 48.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.958 0.409 . . . . 1.0 110.712 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -61.35 -33.32 73.44 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.927 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -62.99 -27.22 70.03 Favored Glycine 0 N--CA 1.448 -0.546 0 CA-C-N 115.818 -0.628 . . . . 1.0 112.461 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -76.68 -37.48 56.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.268 0.556 . . . . 1.0 109.567 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.455 ' CD1' ' HD3' ' A' 2445 ' ' LYS . 49.0 t90 -69.84 -46.44 65.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.163 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.767 ' HB2' ' HB2' ' A' 2305 ' ' ALA . 64.2 p -65.58 -46.33 79.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.908 -178.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -58.56 -45.86 88.09 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.564 0.221 . . . . 1.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -62.96 -30.97 79.02 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 121.068 -0.587 . . . . 1.0 112.205 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.29 -40.38 58.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.156 0.503 . . . . 1.0 109.895 177.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.491 ' O ' ' HD3' ' A' 2398 ' ' ARG . 83.5 mt -64.31 -49.9 78.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.683 -0.689 . . . . 1.0 111.173 179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 33.2 p -63.58 -38.13 89.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 1.0 110.691 -178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' 2400 ' ' VAL . . . -62.91 -42.0 99.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.418 ' HA ' HG22 ' A' 2400 ' ' VAL . . . -60.25 -41.16 92.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.882 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . 0.491 ' HD3' ' O ' ' A' 2394 ' ' ILE . 5.2 mpt_? -59.99 -45.68 91.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.209 0.528 . . . . 1.0 110.236 174.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . 0.545 ' HG3' ' HB3' ' A' 2434 ' ' SER . 7.4 tpt -65.52 -44.9 85.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.507 -0.77 . . . . 1.0 111.607 -177.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.684 HG12 ' HA ' ' A' 2435 ' ' THR . 6.1 m -67.36 -37.81 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.441 -0.503 . . . . 1.0 110.373 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' 2405 ' ' ASN . . . -66.04 -32.87 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.625 0.25 . . . . 1.0 110.819 179.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -79.25 -51.73 9.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 121.004 -0.279 . . . . 1.0 110.691 178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -57.51 -52.08 66.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.578 -177.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.699 HG21 HG21 ' A' 2356 ' ' THR . 63.7 p -64.35 -32.25 73.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.041 0.448 . . . . 1.0 110.539 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' 2401 ' ' ALA . 63.9 t30 -69.67 -38.73 77.19 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.89 -178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 11.8 m120 -70.54 -36.29 73.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.243 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . 0.648 ' HB2' HG21 ' A' 2431 ' ' VAL . 47.6 tp -68.72 -31.2 70.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.875 0.369 . . . . 1.0 110.127 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' 2405 ' ' ASN . 88.8 m -57.99 -44.53 87.21 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.026 -0.534 . . . . 1.0 109.857 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' 2412 ' ' ASN . 7.5 mm-40 -69.78 -33.8 72.89 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 112.578 0.584 . . . . 1.0 112.578 175.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -61.57 -45.85 92.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.129 0.49 . . . . 1.0 110.197 176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.572 ' O ' HG23 ' A' 2415 ' ' VAL . . . -68.95 -41.84 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.755 -0.657 . . . . 1.0 110.24 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.474 ' HB3' ' HA ' ' A' 2409 ' ' GLU . 33.6 t30 -52.62 -41.25 63.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.681 177.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' 2418 ' ' HIS . . . -66.84 -49.68 64.97 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.977 176.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -65.08 -46.45 81.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.805 -0.634 . . . . 1.0 112.17 -171.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' 2411 ' ' ALA . 19.2 t -69.42 -20.49 24.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.182 0.515 . . . . 1.0 111.125 -176.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.42 11.28 27.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.302 0.482 . . . . 1.0 112.302 -173.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 128.78 -29.36 3.99 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.098 -1.049 . . . . 1.0 114.502 171.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . 0.529 ' HB2' ' HB1' ' A' 2413 ' ' ALA . 93.8 m-70 -90.5 86.6 6.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 117.405 0.602 . . . . 1.0 110.64 -175.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -91.53 101.65 14.3 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.044 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.586 ' HB3' ' HG2' ' A' 2423 ' ' LYS . 23.1 t -127.64 97.59 4.9 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.548 -0.908 . . . . 1.0 108.548 176.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' 2421 ' ' GLN . 1.6 mp0 -67.98 -26.56 65.99 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.006 -174.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.6 -50.04 74.19 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.442 178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' A' 2420 ' ' SER . 60.7 pttt -77.7 -23.7 49.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.888 0.375 . . . . 1.0 110.588 -178.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 56.0 tp -74.64 -56.99 4.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.955 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.13 -47.07 91.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.249 -178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 58.2 m -59.37 -37.97 79.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.016 -0.538 . . . . 1.0 111.425 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.568 ' O ' HG23 ' A' 2431 ' ' VAL . 23.0 t -73.63 -38.04 65.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.432 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.64 86.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.107 0.48 . . . . 1.0 110.768 -175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . . . . . . . . . 88.7 mttt -66.05 -42.02 90.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.171 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -70.07 -38.33 75.7 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.277 -178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.648 HG21 ' HB2' ' A' 2407 ' ' LEU . 77.2 t -58.88 -52.71 57.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.389 177.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' 2464 ' ' LYS . . . -55.18 -47.36 75.32 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.885 -0.598 . . . . 1.0 111.383 -179.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.69 81.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.534 -0.303 . . . . 1.0 111.491 -176.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.545 ' HB3' ' HG3' ' A' 2399 ' ' MET . 30.5 m -73.91 -36.78 64.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.42 -0.354 . . . . 1.0 111.264 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.684 ' HA ' HG12 ' A' 2400 ' ' VAL . 20.3 m -76.08 -42.29 47.79 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.892 0.377 . . . . 1.0 111.159 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.742 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.78 -21.69 66.83 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 121.301 0.572 . . . . 1.0 109.769 177.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' 2434 ' ' SER . 5.6 tp-100 -67.35 -32.48 73.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.247 -0.888 . . . . 1.0 110.457 176.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.563 ' HB2' HG11 ' A' 2400 ' ' VAL . 40.3 tp -61.74 -32.67 72.93 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.169 -0.469 . . . . 1.0 109.788 178.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.742 HD13 ' HA ' ' A' 2436 ' ' ALA . 7.1 mp -65.63 -49.45 68.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.37 174.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.433 ' O ' HG23 ' A' 2444 ' ' VAL . 52.5 t -59.55 -37.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.562 -0.745 . . . . 1.0 110.734 -178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -56.19 -41.79 76.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 1.0 111.234 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 42.1 t -77.26 -42.2 38.01 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.124 -0.324 . . . . 1.0 110.124 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.4 ' HD3' ' HE2' ' A' 2453 ' ' MET . 29.1 ttpp -56.67 -19.63 17.41 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.717 -0.674 . . . . 1.0 112.624 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 2440 ' ' VAL . 60.7 t -53.44 -38.83 33.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.02 0.438 . . . . 1.0 111.082 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . 0.499 ' HG2' HG12 ' A' 2376 ' ' VAL . 5.9 mptp? -110.81 -21.47 12.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.056 178.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . . . . . . . . . . . -88.59 134.23 33.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.852 0.358 . . . . 1.0 111.788 -175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.486 ' HB2' ' HB2' ' A' 2450 ' ' SER . 3.8 m-20 -61.57 138.8 58.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.064 -0.516 . . . . 1.0 109.74 175.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.492 ' HA ' ' HG2' ' A' 2453 ' ' MET . 11.9 pt20 -75.03 -14.17 60.57 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.545 -0.462 . . . . 1.0 110.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -99.69 8.78 44.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.924 175.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' 2454 ' ' LYS . 6.2 t -71.63 140.77 49.86 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.856 -0.424 . . . . 1.0 109.856 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -58.18 -44.65 88.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 1.0 110.754 179.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . 0.559 ' HB1' ' HA ' ' A' 2366 ' ' ALA . . . -60.61 -37.6 81.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.767 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.492 ' HG2' ' HA ' ' A' 2448 ' ' GLN . 17.2 tpt -71.16 -28.24 64.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.615 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' 2450 ' ' SER . 34.9 mmtp -62.94 -42.35 99.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 1.0 109.856 175.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 52.6 mtm180 -64.52 -37.47 87.65 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.587 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.447 HD23 HD12 ' A' 2359 ' ' LEU . 6.5 mt -64.31 -54.18 37.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.928 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' 2439 ' ' LEU . 29.3 tt0 -57.97 -44.75 87.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.602 -0.727 . . . . 1.0 111.588 -175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.21 81.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.812 0.339 . . . . 1.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 2463 ' ' VAL . . . -74.34 -44.33 52.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.609 179.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . 0.458 ' HA3' HD21 ' A' 2439 ' ' LEU . . . -64.81 -36.03 92.62 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.999 -0.62 . . . . 1.0 111.925 177.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 56.0 t30 -62.89 -38.39 90.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.124 0.488 . . . . 1.0 109.695 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.46 94.67 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.514 -0.767 . . . . 1.0 111.15 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.738 HG13 HG23 ' A' 2352 ' ' ILE . 9.7 t -61.86 -53.88 42.08 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.244 0 CA-C-O 120.882 0.372 . . . . 1.0 110.281 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.649 ' HD2' ' HB1' ' A' 2432 ' ' ALA . 28.6 tptp -57.48 -47.38 82.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 -179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -66.46 -42.82 87.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.32 -176.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -66.82 -35.81 80.91 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.875 178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' 2432 ' ' ALA . 36.0 m -69.38 -43.84 72.71 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 176.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.69 -43.48 90.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.706 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 8.9 t30 -63.82 -38.2 90.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.505 177.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.576 HD11 HG23 ' A' 2345 ' ' ILE . 14.1 tp -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.023 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.594 ' O ' ' HG3' ' A' 2475 ' ' GLN . 61.8 t -62.15 -51.81 67.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.476 174.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 4.0 tmtm? -54.4 -49.68 69.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.477 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.33 89.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.039 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . 0.462 ' HA ' ' HE1' ' A' 2341 ' ' PHE . . . -63.99 -33.4 75.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.052 178.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.594 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.4 mt-30 -65.42 -26.19 67.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.644 178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.78 -25.55 61.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.273 0.558 . . . . 1.0 110.214 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -103.36 19.41 19.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.634 -0.712 . . . . 1.0 110.403 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . . . . . . . . . . . -139.52 -174.72 3.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.427 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -140.17 115.6 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.862 0.363 . . . . 1.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -128.99 19.36 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.253 0.549 . . . . 1.0 109.538 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -92.68 120.5 33.15 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.817 -173.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.678 -0.677 . . . . 1.0 109.776 174.631 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2294 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 111.519 -0.632 . . . . 1.0 111.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 2295 ' ' ILE . . . . . . . . . . . . . 38.9 mm -72.18 -32.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.688 0.756 . . . . 1.0 108.969 176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2296 ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -67.63 150.44 97.83 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.744 -1.117 . . . . 1.0 111.057 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2297 ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.93 20.04 1.26 Allowed 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.52 2.813 . . . . 1.0 112.619 176.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2298 ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -108.94 -52.14 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.572 -175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2299 ' ' THR . . . . . . . . . . . . . 8.7 t 44.96 67.42 0.71 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.448 1.118 . . . . 1.0 111.164 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2300 ' ' ASP . . . . . 0.585 ' O ' HG12 ' A' 2304 ' ' ILE . 7.4 m-20 -68.53 127.72 93.15 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 114.488 -1.233 . . . . 1.0 109.593 179.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2301 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -58.24 -30.66 91.49 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.49 2.127 . . . . 1.0 111.492 179.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2302 ' ' THR . . . . . . . . . . . . . 2.7 p -61.66 -45.16 95.22 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.505 -0.77 . . . . 1.0 110.673 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2303 ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' 2300 ' ' ASP . 94.9 t -63.55 -42.89 97.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.221 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2304 ' ' ILE . . . . . 0.585 HG12 ' O ' ' A' 2300 ' ' ASP . 25.4 mm -54.13 -51.5 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.527 179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2305 ' ' ALA . . . . . 0.496 ' HA ' HD11 ' A' 2394 ' ' ILE . . . -65.39 -50.34 65.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.785 -0.643 . . . . 1.0 111.596 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2306 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.29 -41.4 88.87 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.063 0.459 . . . . 1.0 110.932 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2307 ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' 2303 ' ' VAL . 23.5 t30 -63.88 -37.95 89.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.414 -175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2308 ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -72.7 -30.42 64.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.838 178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2309 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 2305 ' ' ALA . 50.5 mt -65.74 -40.24 91.93 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.708 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2310 ' ' LEU . . . . . . . . . . . . . 10.9 mp -60.51 -40.68 92.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.0 110.442 176.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2311 ' ' GLY . . . . . . . . . . . . . . . -65.26 -42.11 96.41 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.868 -0.682 . . . . 1.0 111.829 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2312 ' ' ALA . . . . . . . . . . . . . . . -64.67 -35.76 82.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.761 0.315 . . . . 1.0 110.775 177.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2313 ' ' ALA . . . . . 0.43 ' HA ' HG11 ' A' 2360 ' ' VAL . . . -59.07 -42.69 90.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.699 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2314 ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.07 99.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.625 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2315 ' ' ALA . . . . . . . . . . . . . . . -65.83 -40.01 91.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.027 -0.533 . . . . 1.0 111.048 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2316 ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.6 -43.44 80.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.914 178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2317 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -67.19 -24.87 65.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.962 -0.295 . . . . 1.0 110.923 178.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2318 ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.52 89.68 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.945 0.402 . . . . 1.0 110.259 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2319 ' ' ALA . . . . . 0.416 ' O ' HD13 ' A' 2323 ' ' LEU . . . -69.79 -43.5 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.077 175.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2320 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2353 ' ' ALA . . . -59.16 -33.19 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.39 0.614 . . . . 1.0 110.508 176.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2321 ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -66.8 -38.04 85.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.081 -0.963 . . . . 1.0 110.415 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2322 ' ' LYS . . . . . 0.523 ' HD2' ' SG ' ' A' 2408 ' ' CYS . 22.2 ttmm -64.49 -38.97 92.87 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.381 -0.6 . . . . 1.0 109.381 175.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2323 ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' 2319 ' ' ALA . 8.6 mp -64.15 -29.33 70.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.5 -0.773 . . . . 1.0 111.642 177.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2324 ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -76.52 -20.23 57.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.01 0.433 . . . . 1.0 110.538 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2325 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.09 -21.85 20.23 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.98 -179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2326 ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' 2322 ' ' LYS . 78.5 mt -59.79 120.19 9.08 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.957 -0.565 . . . . 1.0 109.918 176.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2327 ' ' LYS . . . . . 0.414 ' HE3' ' HB2' ' A' 2327 ' ' LYS . 38.9 ttmt -133.03 128.83 20.77 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 1.0 110.626 -174.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2328 ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -69.28 111.19 2.64 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.506 2.137 . . . . 1.0 111.423 176.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2329 ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -93.33 65.74 3.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.946 0.403 . . . . 1.0 110.879 -175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2330 ' ' ALA . . . . . . . . . . . . . . . -166.26 127.89 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.163 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2331 ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -89.86 135.99 29.75 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.308 0.575 . . . . 1.0 110.18 175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2332 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.08 109.64 2.87 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.904 3.069 . . . . 1.0 112.64 -175.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2333 ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' 2336 ' ' ASP . 66.3 mttm -90.83 160.83 15.54 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.681 -0.691 . . . . 1.0 110.204 174.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2334 ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -72.99 127.41 32.48 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.578 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2335 ' ' ALA . . . . . . . . . . . . . . . 65.8 17.81 10.96 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.786 0.679 . . . . 1.0 111.263 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2336 ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' 2333 ' ' LYS . 36.3 t70 -95.67 49.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 1.0 109.465 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2337 ' ' GLU . . . . . 0.516 ' HB3' ' HG ' ' A' 2339 ' ' LEU . 37.4 mt-10 66.29 141.39 0.03 OUTLIER 'General case' 0 C--O 1.231 0.121 0 CA-C-N 114.801 -1.091 . . . . 1.0 112.431 -175.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2338 ' ' SER . . . . . . . . . . . . . 14.6 m -92.49 44.29 1.15 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.525 -0.761 . . . . 1.0 109.954 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2339 ' ' LEU . . . . . 0.516 ' HG ' ' HB3' ' A' 2337 ' ' GLU . 86.1 mt -75.8 95.15 3.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.833 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2340 ' ' ASN . . . . . 0.486 ' O ' ' HG3' ' A' 2344 ' ' GLN . 20.8 m120 -111.02 10.75 22.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.318 175.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2341 ' ' PHE . . . . . 0.575 ' O ' HG12 ' A' 2345 ' ' ILE . 80.0 t80 -57.68 -47.2 83.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.83 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2342 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -59.01 -35.02 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.525 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2343 ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' 2347 ' ' GLU . 50.0 mt-10 -72.35 -42.3 65.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.837 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2344 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' 2340 ' ' ASN . 46.2 mt-30 -57.38 -44.0 84.06 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.268 0.556 . . . . 1.0 110.511 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2345 ' ' ILE . . . . . 0.579 HG23 HD11 ' A' 2470 ' ' LEU . 28.2 mm -65.02 -40.55 89.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.696 -0.683 . . . . 1.0 109.951 177.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2346 ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' 2350 ' ' LYS . 22.0 tp -64.44 -48.57 74.83 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.452 -0.795 . . . . 1.0 111.322 -177.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2347 ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' 2343 ' ' GLU . 5.4 pt-20 -66.63 -42.46 86.73 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.689 0.281 . . . . 1.0 111.523 -178.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2348 ' ' ALA . . . . . . . . . . . . . . . -69.25 -31.06 69.34 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 120.587 -0.445 . . . . 1.0 110.248 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2349 ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.11 97.57 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.958 -0.565 . . . . 1.0 110.053 173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2350 ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' 2346 ' ' LEU . 13.3 mptt -57.82 -38.07 74.93 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.788 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2351 ' ' SER . . . . . . . . . . . . . 4.7 t -62.25 -45.67 92.25 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.839 -0.619 . . . . 1.0 109.955 -179.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2352 ' ' ILE . . . . . . . . . . . . . 48.8 mt -66.88 -44.67 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.919 -0.582 . . . . 1.0 109.922 176.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2353 ' ' ALA . . . . . 0.403 ' HB1' ' HB1' ' A' 2320 ' ' ALA . . . -54.46 -51.13 65.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.292 0.37 . . . . 1.0 111.37 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2354 ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.5 89.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.12 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2355 ' ' ALA . . . . . . . . . . . . . . . -69.62 -44.71 70.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 1.0 112.012 -176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2356 ' ' THR . . . . . 0.438 HG21 HG21 ' A' 2404 ' ' THR . 21.5 p -64.77 -47.34 78.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.045 0.45 . . . . 1.0 111.405 -175.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2357 ' ' SER . . . . . . . . . . . . . 26.4 p -64.93 -30.43 71.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.858 -0.61 . . . . 1.0 110.815 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2358 ' ' ALA . . . . . . . . . . . . . . . -77.97 -34.12 51.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.433 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2359 ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.09 -50.65 72.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.578 -178.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2360 ' ' VAL . . . . . 0.43 HG11 ' HA ' ' A' 2313 ' ' ALA . 9.1 p -62.89 -32.55 56.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.082 0.468 . . . . 1.0 110.984 -178.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2361 ' ' LYS . . . . . . . . . . . . . 96.8 mttt -78.28 -33.65 49.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.926 0.393 . . . . 1.0 110.438 178.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2362 ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.34 79.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.132 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2363 ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' 2367 ' ' GLN . . . -60.88 -44.8 96.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.217 175.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2364 ' ' SER . . . . . . . . . . . . . 28.2 t -58.92 -43.43 91.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.75 -0.659 . . . . 1.0 110.777 176.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2365 ' ' ALA . . . . . 0.457 ' O ' ' HG2' ' A' 2369 ' ' GLU . . . -67.46 -39.89 85.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.282 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2366 ' ' ALA . . . . . 0.566 ' O ' HD22 ' A' 2370 ' ' LEU . . . -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.871 -0.604 . . . . 1.0 110.727 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2367 ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' 2371 ' ' VAL . 49.8 mt-30 -51.37 -52.04 49.23 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.403 0.62 . . . . 1.0 110.045 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2368 ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -58.64 -30.53 67.38 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.716 -1.129 . . . . 1.0 110.699 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2369 ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' 2365 ' ' ALA . 16.6 mm-40 -68.02 -50.49 55.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.263 175.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2370 ' ' LEU . . . . . 0.566 HD22 ' O ' ' A' 2366 ' ' ALA . 0.9 OUTLIER -59.84 -39.13 84.1 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.71 0.291 . . . . 1.0 110.659 178.193 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2371 ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' 2367 ' ' GLN . 61.9 t -61.25 -48.11 90.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.469 177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2372 ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.85 89.01 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.919 0.39 . . . . 1.0 111.385 178.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2373 ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -74.09 -17.15 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 111.16 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2374 ' ' GLY . . . . . . . . . . . . . . . 70.08 25.64 75.34 Favored Glycine 0 N--CA 1.449 -0.45 0 N-CA-C 111.348 -0.701 . . . . 1.0 111.348 -175.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2375 ' ' LYS . . . . . . . . . . . . . 53.9 tptt -75.65 -27.99 58.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.525 0.679 . . . . 1.0 109.354 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2376 ' ' VAL . . . . . . . . . . . . . 27.9 m -104.16 178.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.094 -0.957 . . . . 1.0 109.005 172.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2377 ' ' GLY . . . . . . . . . . . . . . . -74.79 -45.86 20.05 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.292 -0.956 . . . . 1.0 111.034 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2378 ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' 2371 ' ' VAL . . . 64.94 17.97 11.29 Favored 'General case' 0 N--CA 1.462 0.15 0 O-C-N 124.085 0.521 . . . . 1.0 111.064 176.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2379 ' ' ILE . . . . . 0.505 HG22 ' H ' ' A' 2381 ' ' ALA . 34.3 mm -135.28 131.48 19.63 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.696 -0.684 . . . . 1.0 110.116 -174.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2380 ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -51.2 -36.32 55.6 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.56 2.84 . . . . 1.0 113.497 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2381 ' ' ALA . . . . . 0.505 ' H ' HG22 ' A' 2379 ' ' ILE . . . -67.91 -15.25 63.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 1.0 111.328 177.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2382 ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.08 18.11 22.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.045 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2383 ' ' ALA . . . . . . . . . . . . . . . -62.23 -18.66 61.77 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.994 -175.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2384 ' ' LEU . . . . . . . . . . . . . 1.7 tm? -53.74 -54.52 36.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.974 -0.38 . . . . 1.0 109.974 177.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2385 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -81.54 -51.11 8.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.091 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2386 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -59.95 -35.56 75.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.077 -0.511 . . . . 1.0 112.162 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2387 ' ' GLY . . . . . . . . . . . . . . . -63.79 -26.01 69.61 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.012 -0.613 . . . . 1.0 112.394 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2388 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -76.93 -37.73 54.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.218 0.532 . . . . 1.0 109.695 -178.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2389 ' ' TRP . . . . . 0.464 ' CH2' ' HG2' ' A' 2367 ' ' GLN . 42.0 t90 -71.84 -40.13 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.87 . . . . 1.0 109.822 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2390 ' ' SER . . . . . 0.479 ' HB3' ' HB2' ' A' 2305 ' ' ALA . 45.0 m -62.57 -54.96 31.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.528 -0.76 . . . . 1.0 111.07 179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2391 ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -61.0 -42.41 98.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.472 0.177 . . . . 1.0 111.319 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2392 ' ' GLY . . . . . . . . . . . . . . . -61.59 -33.51 85.21 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.947 -0.644 . . . . 1.0 112.18 178.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2393 ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.78 -44.87 39.31 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.959 0.409 . . . . 1.0 110.444 178.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2394 ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' 2305 ' ' ALA . 85.1 mt -59.77 -49.82 82.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.172 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2395 ' ' SER . . . . . . . . . . . . . 13.1 p -63.27 -38.99 93.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.828 -178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2396 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 2400 ' ' VAL . . . -60.62 -39.02 86.68 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.894 177.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2397 ' ' ALA . . . . . 0.466 ' O ' HG22 ' A' 2400 ' ' VAL . . . -64.53 -39.81 94.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.533 -0.303 . . . . 1.0 111.18 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2398 ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -72.72 -26.84 61.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.077 0.465 . . . . 1.0 110.216 176.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2399 ' ' MET . . . . . . . . . . . . . 26.3 ttt -69.77 -46.16 66.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.428 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2400 ' ' VAL . . . . . 0.679 HG12 ' HA ' ' A' 2435 ' ' THR . 4.3 m -66.97 -36.43 77.13 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 C-N-CA 120.709 -0.396 . . . . 1.0 109.98 177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2401 ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.96 95.92 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 116.416 -0.356 . . . . 1.0 110.788 178.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2402 ' ' ALA . . . . . . . . . . . . . . . -69.96 -49.8 48.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.548 -0.296 . . . . 1.0 110.793 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2403 ' ' ALA . . . . . . . . . . . . . . . -58.29 -52.51 65.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.376 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2404 ' ' THR . . . . . 0.561 HG22 HG13 ' A' 2431 ' ' VAL . 81.1 p -65.34 -27.14 68.38 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.595 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2405 ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' 2408 ' ' CYS . 4.0 t-20 -71.82 -41.66 67.94 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.188 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2406 ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.21 -32.27 73.22 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.432 -178.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2407 ' ' LEU . . . . . . . . . . . . . 29.7 tp -72.42 -34.37 67.79 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.773 -0.454 . . . . 1.0 109.773 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2408 ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' A' 2322 ' ' LYS . 5.2 t -58.61 -40.14 82.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 1.0 110.301 173.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2409 ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -70.63 -39.01 73.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.666 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2410 ' ' ALA . . . . . . . . . . . . . . . -64.95 -43.44 92.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.726 178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2411 ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' 2415 ' ' VAL . . . -62.02 -42.8 99.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.427 176.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2412 ' ' ASN . . . . . 0.466 HD22 HD21 ' A' 2326 ' ' LEU . 18.8 t-20 -55.76 -42.83 76.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.886 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2413 ' ' ALA . . . . . . . . . . . . . . . -68.31 -46.31 70.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.748 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2414 ' ' ALA . . . . . . . . . . . . . . . -61.15 -47.76 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.757 -0.656 . . . . 1.0 112.154 -173.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2415 ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' 2411 ' ' ALA . 41.7 t -61.44 -36.96 76.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.226 0.536 . . . . 1.0 110.653 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2416 ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -92.54 24.82 3.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.886 -0.597 . . . . 1.0 112.356 -172.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2417 ' ' GLY . . . . . . . . . . . . . . . 99.66 -14.16 60.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 1.0 113.922 170.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2418 ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -101.85 74.18 1.46 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.405 0.621 . . . . 1.0 110.152 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2419 ' ' ALA . . . . . . . . . . . . . . . -94.28 110.95 22.66 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.478 -0.783 . . . . 1.0 110.753 -176.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2420 ' ' SER . . . . . 0.681 ' HB2' ' HG2' ' A' 2423 ' ' LYS . 14.0 m -115.24 96.15 5.53 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.829 -1.174 . . . . 1.0 107.829 176.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2421 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.32 -30.57 71.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.813 -0.63 . . . . 1.0 110.748 -170.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2422 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.34 -58.57 7.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.055 177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2423 ' ' LYS . . . . . 0.681 ' HG2' ' HB2' ' A' 2420 ' ' SER . 18.9 ptpt -63.51 -33.7 76.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.98 0.419 . . . . 1.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2424 ' ' LEU . . . . . . . . . . . . . 31.0 tp -64.69 -47.81 77.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.462 -176.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2425 ' ' ILE . . . . . 0.449 HG22 ' HE2' ' A' 2429 ' ' LYS . 59.4 mt -66.84 -43.83 89.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.411 177.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2426 ' ' SER . . . . . . . . . . . . . 50.9 m -57.28 -50.6 72.39 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.867 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2427 ' ' SER . . . . . 0.555 ' O ' HG23 ' A' 2431 ' ' VAL . 67.3 m -64.79 -37.66 88.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.48 -0.327 . . . . 1.0 111.338 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2428 ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.59 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 1.0 110.657 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2429 ' ' LYS . . . . . 0.449 ' HE2' HG22 ' A' 2425 ' ' ILE . 52.6 mtmt -66.65 -38.05 86.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.0 110.222 178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2430 ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -66.52 -43.55 84.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.804 176.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2431 ' ' VAL . . . . . 0.561 HG13 HG22 ' A' 2404 ' ' THR . 67.4 t -57.43 -53.78 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.487 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2432 ' ' ALA . . . . . 0.613 ' HB1' ' HG2' ' A' 2464 ' ' LYS . . . -54.77 -45.65 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.455 -0.338 . . . . 1.0 111.248 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2433 ' ' ALA . . . . . . . . . . . . . . . -69.18 -47.77 63.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.835 0.35 . . . . 1.0 111.617 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2434 ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' 2437 ' ' GLN . 12.9 m -70.09 -36.86 75.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.374 -0.376 . . . . 1.0 110.965 -175.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2435 ' ' THR . . . . . 0.679 ' HA ' HG12 ' A' 2400 ' ' VAL . 23.8 m -75.84 -39.9 55.82 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 120.918 0.39 . . . . 1.0 110.974 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2436 ' ' ALA . . . . . 0.782 ' HA ' HD13 ' A' 2439 ' ' LEU . . . -64.94 -25.98 68.11 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.303 0.573 . . . . 1.0 109.833 176.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2437 ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' 2434 ' ' SER . 55.0 tp60 -64.47 -28.41 69.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.776 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2438 ' ' LEU . . . . . 0.631 ' HB2' HG11 ' A' 2400 ' ' VAL . 46.6 tp -63.65 -33.66 76.12 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.63 -0.508 . . . . 1.0 109.63 176.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2439 ' ' LEU . . . . . 0.782 HD13 ' HA ' ' A' 2436 ' ' ALA . 6.8 mp -67.24 -44.48 79.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.882 173.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2440 ' ' VAL . . . . . 0.48 ' O ' HG23 ' A' 2444 ' ' VAL . 88.7 t -57.13 -44.4 83.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.771 179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2441 ' ' ALA . . . . . . . . . . . . . . . -57.07 -38.72 73.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.875 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2442 ' ' CYS . . . . . . . . . . . . . 68.7 m -68.23 -48.82 64.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.978 0.418 . . . . 1.0 110.309 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2443 ' ' LYS . . . . . 0.539 ' HA ' ' HB3' ' A' 2446 ' ' ALA . 9.2 mtpm? -60.17 -20.33 58.06 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 113.06 0.763 . . . . 1.0 113.06 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2444 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' 2440 ' ' VAL . 93.0 t -53.11 -40.95 40.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-O 120.946 0.403 . . . . 1.0 111.462 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2445 ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -117.7 25.25 10.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.455 -0.338 . . . . 1.0 110.611 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2446 ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' A' 2443 ' ' LYS . . . -132.98 156.47 47.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 1.0 112.095 -174.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2447 ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' 2453 ' ' MET . 16.8 m-20 -105.79 143.74 33.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.58 -0.736 . . . . 1.0 109.083 173.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2448 ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' 2448 ' ' GLN . 2.4 pt20 -76.66 -20.56 56.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.99 0.424 . . . . 1.0 110.454 -178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2449 ' ' ASP . . . . . . . . . . . . . 3.1 p30 -75.9 -5.92 48.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.515 . . . . 1.0 111.101 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2450 ' ' SER . . . . . 0.626 ' HB3' ' SD ' ' A' 2453 ' ' MET . 16.9 t -73.12 155.23 39.9 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 109.219 -0.66 . . . . 1.0 109.219 175.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2451 ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -69.29 -51.66 35.13 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.24 0.459 . . . . 1.0 112.24 -170.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2452 ' ' ALA . . . . . . . . . . . . . . . -60.3 -28.01 67.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.077 0.465 . . . . 1.0 111.765 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2453 ' ' MET . . . . . 0.626 ' SD ' ' HB3' ' A' 2450 ' ' SER . 0.7 OUTLIER -67.15 -22.58 65.77 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.312 -177.026 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2454 ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -63.53 -46.11 87.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.278 0.561 . . . . 1.0 109.679 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2455 ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -71.5 -36.39 71.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.829 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2456 ' ' LEU . . . . . 0.533 ' CD2' ' HG ' ' A' 2439 ' ' LEU . 1.3 tt -59.18 -53.61 56.33 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.175 -0.466 . . . . 1.0 109.949 178.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2457 ' ' GLN . . . . . 0.581 ' HA ' HD23 ' A' 2439 ' ' LEU . 6.1 tp-100 -57.67 -52.93 63.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.895 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2458 ' ' ALA . . . . . . . . . . . . . . . -55.36 -31.98 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.294 0.479 . . . . 1.0 112.294 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2459 ' ' ALA . . . . . . . . . . . . . . . -68.31 -49.52 59.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.563 0.22 . . . . 1.0 110.595 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2460 ' ' GLY . . . . . . . . . . . . . . . -64.71 -35.64 92.17 Favored Glycine 0 C--N 1.332 0.333 0 N-CA-C 111.344 -0.702 . . . . 1.0 111.344 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2461 ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -57.3 -42.68 82.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.906 -0.647 . . . . 1.0 110.44 175.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2462 ' ' ALA . . . . . . . . . . . . . . . -64.83 -36.74 85.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2463 ' ' VAL . . . . . 0.436 HG21 HG21 ' A' 2435 ' ' THR . 4.4 t -61.96 -50.17 81.21 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2464 ' ' LYS . . . . . 0.613 ' HG2' ' HB1' ' A' 2432 ' ' ALA . 0.0 OUTLIER -63.83 -40.88 97.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.336 -0.847 . . . . 1.0 110.243 -178.209 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 2465 ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -62.93 -49.95 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.781 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2466 ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.18 93.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.999 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2467 ' ' SER . . . . . . . . . . . . . 48.5 m -65.16 -42.3 93.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.409 -0.359 . . . . 1.0 110.483 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2468 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.64 -48.41 81.79 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.259 0.552 . . . . 1.0 110.081 176.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2469 ' ' ASN . . . . . . . . . . . . . 53.8 t30 -61.07 -38.17 85.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.681 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2470 ' ' LEU . . . . . 0.579 HD11 HG23 ' A' 2345 ' ' ILE . 18.7 tp -66.0 -44.14 85.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.988 178.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2471 ' ' VAL . . . . . 0.602 ' O ' ' HG3' ' A' 2475 ' ' GLN . 44.2 t -58.62 -50.05 80.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.972 173.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2472 ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -50.75 -51.94 45.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.505 -0.771 . . . . 1.0 110.678 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2473 ' ' ALA . . . . . 0.736 ' O ' ' HG2' ' A' 2476 ' ' LYS . . . -61.9 -38.46 88.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.075 0.464 . . . . 1.0 111.149 -178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2474 ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.55 78.67 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.825 0.345 . . . . 1.0 110.983 178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2475 ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' 2471 ' ' VAL . 93.7 mt-30 -63.73 -28.62 70.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 1.0 111.784 -178.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2476 ' ' LYS . . . . . 0.736 ' HG2' ' O ' ' A' 2473 ' ' ALA . 19.7 ptmt -78.52 -25.67 45.61 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.919 -0.312 . . . . 1.0 110.76 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2477 ' ' ALA . . . . . . . . . . . . . . . -92.67 13.09 21.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.016 0.436 . . . . 1.0 111.639 -176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2478 ' ' ALA . . . . . 0.418 ' HB3' ' CE2' ' A' 2480 ' ' PHE . . . -149.67 176.79 10.35 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.258 178.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2479 ' ' ALA . . . . . . . . . . . . . . . -114.8 110.25 19.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.797 0.332 . . . . 1.0 110.167 177.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2480 ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' A' 2478 ' ' ALA . 91.7 m-85 -110.17 23.82 13.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 2481 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.92 59.95 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.568 0.699 . . . . 1.0 110.848 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 2482 ' ' ASP . . . . . . . . . . . . . 38.4 t70 . . . . . 0 C--O 1.247 0.958 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.084 -178.863 . . . . . . . . 0 0 . 1 stop_ save_