data_2lgf_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 2lgf _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 full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 mt -90.56 114.64 26.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -86.57 162.46 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -56.03 -37.46 69.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.358 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' CD ' ' HZ2' ' B' ' 360' ' ' LYS . 83.2 tt0 -64.39 -43.18 95.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.05 -43.26 96.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.978 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.73 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.971 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CZ ' ' NH1' ' B' ' 356' ' ' ARG . 27.2 m-85 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.381 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -57.6 -45.94 84.66 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.389 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -72.15 -48.3 44.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 110.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.11 80.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.7 -45.69 91.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.482 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -59.85 -33.21 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.0 mt -68.66 -43.06 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 112' ' ' LEU . 63.2 m-85 -69.93 -41.87 74.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.0 t0 -83.13 100.97 10.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.633 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -62.78 -47.75 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.009 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 7.4 p-10 -72.53 -29.36 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.725 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 73.57 40.77 45.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 31.1 p30 -83.39 -1.8 54.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.719 0.295 . . . . 0.0 110.624 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.08 74.46 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 60.2 p -141.81 146.96 36.5 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.628 0.251 . . . . 0.0 110.589 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.38 119.54 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.232 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -91.32 172.35 8.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.48 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.4 m -71.68 -38.72 70.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 34' ' ' THR . 88.7 tttt -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.578 -179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -69.95 -60.32 2.37 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.015 0.436 . . . . 0.0 110.549 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.55 -39.84 95.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.63 -43.69 98.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.473 ' CA ' HH21 ' A' ' 37' ' ' ARG . 72.7 m -60.59 -47.27 86.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.77 -42.43 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.3 mmt -62.17 -25.82 67.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.473 HH21 ' CA ' ' A' ' 34' ' ' THR . 88.5 mtm180 -86.07 -34.62 20.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.334 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.498 ' C ' ' H ' ' A' ' 40' ' ' GLY . 78.4 p -58.71 -16.32 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.87 13.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 79.2 11.32 85.17 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -106.05 156.25 18.59 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.43 64.57 64.97 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.95 152.94 36.99 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.796 2.331 . . . . 0.0 111.793 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.7 p -82.82 159.89 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.13 -32.06 45.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.166 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.94 -43.4 88.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.588 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.2 -54.25 19.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.68 -43.0 80.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.245 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.85 -44.49 96.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.281 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.24 -42.82 99.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.244 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' ASP . 97.8 mt -62.96 -44.94 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.41 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.7 -40.7 84.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.91 -28.69 68.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.42 -24.22 5.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 59' ' ' GLY . 43.8 t0 -85.12 100.56 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -23.81 64.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.183 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.5 p30 -108.94 -16.15 14.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.503 0.192 . . . . 0.0 111.094 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.532 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 60.25 47.07 92.91 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.125 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 62' ' ' THR . 52.2 p-10 -86.21 -2.24 58.19 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.667 0.27 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.63 -12.29 66.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 71.6 p -131.28 155.16 47.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.06 124.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.31 165.2 13.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.745 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -49.13 -54.47 28.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.96 -43.63 35.04 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.264 1.976 . . . . 0.0 111.828 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.98 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.205 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.63 -44.76 93.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.818 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -63.34 -43.92 96.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -57.75 -39.99 78.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.849 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.609 ' SD ' ' NH2' ' B' ' 356' ' ' ARG . 45.1 mtt -62.52 -42.87 99.8 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.896 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.47 73.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.224 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -70.66 -52.12 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' OG1' ' A' ' 79' ' ' THR . 43.0 mmtm -67.09 -31.13 71.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.9 mtp -79.29 -34.8 42.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.789 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.25 -37.07 22.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' ' 80' ' ' ASP . 59.0 m-20 -97.26 10.02 40.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.498 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 145' ' ' MET . 0.6 OUTLIER -45.81 -14.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 -179.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.512 ' H ' ' C ' ' A' ' 78' ' ' ASP . 55.6 t0 -90.29 19.69 4.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.661 ' HG ' ' H ' ' A' ' 84' ' ' GLU . 5.3 t -87.5 129.53 35.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 110.633 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.72 -41.45 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.51 -44.86 93.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.821 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.661 ' H ' ' HG ' ' A' ' 81' ' ' SER . 69.5 mm-40 -65.3 -43.06 92.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.413 HD12 HG21 ' A' ' 85' ' ' ILE . 97.0 mt -66.96 -43.81 88.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.729 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 69.6 mm-40 -65.15 -42.07 94.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.98 80.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.819 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.1 -47.65 85.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 86.9 mtm180 -63.91 -43.21 96.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.3 t -63.6 -45.81 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' O ' ' CD ' ' A' ' 104' ' ' GLU . 3.4 m-85 -62.65 -45.92 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 3.6 t70 -86.0 71.95 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.648 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.89 -36.48 77.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 25.1 p30 -77.1 -10.0 59.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.773 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 93' ' ' ASP . . . 57.26 33.31 65.01 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 47.1 p30 -87.25 -12.84 45.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.51 10.13 83.85 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 98.3 m-85 -132.28 133.45 44.1 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -101.39 120.47 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.655 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 13.2 t -103.2 171.12 7.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.733 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.655 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -68.78 -38.12 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.845 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 107' ' ' HIS . . . -66.01 -43.27 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 92' ' ' PHE . 37.9 tt0 -67.45 -49.31 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 7.7 tt -61.02 -49.95 75.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' O ' ' OG1' ' A' ' 110' ' ' THR . 39.2 ttm180 -55.57 -39.35 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.037 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 103' ' ' ALA . 57.1 m170 -64.95 -36.07 83.22 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.689 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.96 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.62 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.427 ' CE ' ' O ' ' B' ' 354' ' ' LEU . 67.5 mtp -55.95 -34.16 65.41 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.463 0.477 . . . . 0.0 110.737 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.677 ' C ' ' H ' ' A' ' 112' ' ' LEU . 37.2 m -73.61 -49.5 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.008 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 107' ' ' HIS . 89.4 m-20 -49.41 -2.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.362 0.414 . . . . 0.0 110.84 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.677 ' H ' ' C ' ' A' ' 110' ' ' THR . 28.5 mt -85.62 25.38 1.07 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.315 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.21 14.04 70.92 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.148 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -119.42 151.32 38.72 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -108.84 105.84 15.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.78 143.67 37.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.5 ' CG2' ' HZ1' ' B' ' 362' ' ' LYS . 7.5 p -84.0 161.87 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.542 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.479 ' CG ' ' NH2' ' A' ' 106' ' ' ARG . 45.5 t0 -55.58 -25.45 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.21 -49.61 63.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -52.47 -55.88 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.402 HG12 ' HE ' ' A' ' 106' ' ' ARG . 2.7 p -57.57 -42.9 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 99.5 m-20 -60.56 -37.71 82.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.949 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.3 -44.93 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -49.32 76.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.501 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.514 ' O ' ' N ' ' A' ' 129' ' ' ASP . 70.3 mt -70.69 -53.51 21.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 77.1 ttt180 -49.68 -41.78 43.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.237 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -75.78 -28.76 58.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.686 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.54 -24.15 27.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.984 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 30.8 t0 -78.69 100.64 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.259 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.22 -41.5 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.784 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 5.7 p30 -90.55 -8.41 50.32 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.9 32.9 85.75 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p30 -78.02 2.23 18.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.713 0.292 . . . . 0.0 110.627 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.94 4.13 90.53 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.5 mm-40 -141.36 146.42 36.64 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.278 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.13 125.9 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.446 ' OD1' ' CD1' ' A' ' 99' ' ' TYR . 98.6 m-20 -88.96 171.47 9.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.41 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.39 -45.02 89.14 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 110.533 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.99 -33.1 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.51 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.13 -45.79 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.485 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.11 -44.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.239 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.62 -38.46 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.676 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 mmm -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.471 ' O ' ' CG2' ' A' ' 79' ' ' THR . 12.5 mmt -93.35 -3.87 52.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.552 0.215 . . . . 0.0 110.585 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -101.35 -18.35 16.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.733 0.302 . . . . 0.0 110.366 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.37 146.69 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.49 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.703 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' B' ' 351' ' ' ILE . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' PHE . . . . . 0.593 ' CD1' ' N ' ' B' ' 351' ' ' ILE . 0.1 OUTLIER -39.8 -22.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 179.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' ILE . . . . . 0.593 ' N ' ' CD1' ' B' ' 350' ' ' PHE . 0.0 OUTLIER -56.36 -42.46 74.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ILE . . . . . . . . . . . . . 3.3 mp -59.85 -44.81 94.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.962 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -64.02 -41.38 97.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.257 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' LEU . . . . . 0.427 ' O ' ' CE ' ' A' ' 109' ' ' MET . 57.5 mt -51.33 -44.08 61.91 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.371 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.19 -38.51 75.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.812 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' ARG . . . . . 0.609 ' NH2' ' SD ' ' A' ' 72' ' ' MET . 15.5 mtm180 -62.74 -37.48 86.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.65 -51.84 68.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.715 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.54 -40.7 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.036 0.446 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.05 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.438 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' LYS . . . . . 0.51 ' HZ2' ' CD ' ' A' ' 7' ' ' GLU . 51.0 tttp -61.78 -37.16 83.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.508 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' GLY . . . . . . . . . . . . . . . -70.41 -36.27 69.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' LYS . . . . . 0.5 ' HZ1' ' CG2' ' A' ' 117' ' ' THR . 88.3 tttt -62.16 -44.82 95.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.0 110.475 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' LYS . . . . . . . . . . . . . 36.0 tptt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.813 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 mt -90.56 114.64 26.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -86.57 162.46 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -56.03 -37.46 69.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.358 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' HG2' ' HZ2' ' B' ' 360' ' ' LYS . 83.2 tt0 -64.39 -43.18 95.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.05 -43.26 96.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.978 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.73 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.971 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CZ ' ' NH1' ' B' ' 356' ' ' ARG . 27.2 m-85 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.381 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -57.6 -45.94 84.66 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.389 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -72.15 -48.3 44.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 110.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.11 80.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.7 -45.69 91.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.482 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -59.85 -33.21 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 46.0 mt -68.66 -43.06 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 112' ' ' LEU . 63.2 m-85 -69.93 -41.87 74.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.0 t0 -83.13 100.97 10.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.633 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -62.78 -47.75 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.009 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 7.4 p-10 -72.53 -29.36 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.725 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 73.57 40.77 45.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 31.1 p30 -83.39 -1.8 54.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.719 0.295 . . . . 0.0 110.624 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.08 74.46 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 60.2 p -141.81 146.96 36.5 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.628 0.251 . . . . 0.0 110.589 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.38 119.54 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.232 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -91.32 172.35 8.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.48 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.4 m -71.68 -38.72 70.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.578 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -69.95 -60.32 2.37 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.015 0.436 . . . . 0.0 110.549 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.55 -39.84 95.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.63 -43.69 98.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CA ' HH21 ' A' ' 37' ' ' ARG . 72.7 m -60.59 -47.27 86.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.77 -42.43 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.763 ' SD ' HD11 ' B' ' 351' ' ' ILE . 7.3 mmt -62.17 -25.82 67.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 HH21 ' CA ' ' A' ' 34' ' ' THR . 88.5 mtm180 -86.07 -34.62 20.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.334 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 40' ' ' GLY . 78.4 p -58.71 -16.32 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD11 HD13 ' B' ' 351' ' ' ILE . 8.9 mt -72.87 13.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 79.2 11.32 85.17 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -106.05 156.25 18.59 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -134.43 64.57 64.97 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.95 152.94 36.99 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.796 2.331 . . . . 0.0 111.793 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.7 p -82.82 159.89 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.13 -32.06 45.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.166 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.94 -43.4 88.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.588 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.2 -54.25 19.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.68 -43.0 80.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.245 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.85 -44.49 96.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.281 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.24 -42.82 99.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.244 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' ASP . 97.8 mt -62.96 -44.94 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.41 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.7 -40.7 84.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.91 -28.69 68.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.42 -24.22 5.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 43.8 t0 -85.12 100.56 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -23.81 64.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.183 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.5 p30 -108.94 -16.15 14.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.503 0.192 . . . . 0.0 111.094 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 60.25 47.07 92.91 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.125 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 62' ' ' THR . 52.2 p-10 -86.21 -2.24 58.19 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.667 0.27 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.63 -12.29 66.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 71.6 p -131.28 155.16 47.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.06 124.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.31 165.2 13.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.745 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -49.13 -54.47 28.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.96 -43.63 35.04 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.264 1.976 . . . . 0.0 111.828 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.98 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.205 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.63 -44.76 93.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.818 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -63.34 -43.92 96.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -57.75 -39.99 78.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.849 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.609 ' SD ' ' NH2' ' B' ' 356' ' ' ARG . 45.1 mtt -62.52 -42.87 99.8 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.896 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.47 73.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.224 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -70.66 -52.12 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.09 -31.13 71.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.9 mtp -79.29 -34.8 42.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.789 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.25 -37.07 22.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ASP . 59.0 m-20 -97.26 10.02 40.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.498 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 145' ' ' MET . 0.6 OUTLIER -45.81 -14.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 -179.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASP . 55.6 t0 -90.29 19.69 4.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.3 t -87.5 129.53 35.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 110.633 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.72 -41.45 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.51 -44.86 93.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.821 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -65.3 -43.06 92.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.96 -43.81 88.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.729 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 69.6 mm-40 -65.15 -42.07 94.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.98 80.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.819 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.1 -47.65 85.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 86.9 mtm180 -63.91 -43.21 96.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.3 t -63.6 -45.81 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' O ' ' CD ' ' A' ' 104' ' ' GLU . 3.4 m-85 -62.65 -45.92 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 3.6 t70 -86.0 71.95 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.648 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.89 -36.48 77.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 25.1 p30 -77.1 -10.0 59.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.773 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 93' ' ' ASP . . . 57.26 33.31 65.01 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 47.1 p30 -87.25 -12.84 45.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.51 10.13 83.85 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 98.3 m-85 -132.28 133.45 44.1 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -101.39 120.47 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.2 t -103.2 171.12 7.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.12 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.845 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 107' ' ' HIS . . . -66.01 -43.27 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 92' ' ' PHE . 37.9 tt0 -67.45 -49.31 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.897 HD21 ' SD ' ' A' ' 109' ' ' MET . 7.7 tt -61.02 -49.95 75.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.479 ' NH2' ' CG ' ' A' ' 118' ' ' ASP . 39.2 ttm180 -55.57 -39.35 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.037 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 103' ' ' ALA . 57.1 m170 -64.95 -36.07 83.22 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.689 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.96 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.62 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.897 ' SD ' HD21 ' A' ' 105' ' ' LEU . 67.5 mtp -55.95 -34.16 65.41 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.463 0.477 . . . . 0.0 110.737 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.642 ' C ' ' H ' ' A' ' 112' ' ' LEU . 37.2 m -73.61 -49.5 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.008 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 107' ' ' HIS . 89.4 m-20 -49.41 -2.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.362 0.414 . . . . 0.0 110.84 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.642 ' H ' ' C ' ' A' ' 110' ' ' THR . 28.5 mt -85.62 25.38 1.07 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.315 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.21 14.04 70.92 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.148 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.615 ' OE1' ' HB1' ' B' ' 355' ' ' ALA . 72.9 mt-10 -119.42 151.32 38.72 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -108.84 105.84 15.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.78 143.67 37.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.44 HG23 ' HZ2' ' B' ' 362' ' ' LYS . 7.5 p -84.0 161.87 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.542 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.479 ' CG ' ' NH2' ' A' ' 106' ' ' ARG . 45.5 t0 -55.58 -25.45 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.21 -49.61 63.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -52.47 -55.88 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 105' ' ' LEU . 2.7 p -57.57 -42.9 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 99.5 m-20 -60.56 -37.71 82.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.949 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.3 -44.93 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -49.32 76.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.501 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 129' ' ' ASP . 70.3 mt -70.69 -53.51 21.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 77.1 ttt180 -49.68 -41.78 43.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.237 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -75.78 -28.76 58.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.686 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.54 -24.15 27.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.984 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 30.8 t0 -78.69 100.64 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.259 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.22 -41.5 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.784 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 5.7 p30 -90.55 -8.41 50.32 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.9 32.9 85.75 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p30 -78.02 2.23 18.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.713 0.292 . . . . 0.0 110.627 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.94 4.13 90.53 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.5 mm-40 -141.36 146.42 36.64 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.278 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.13 125.9 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.446 ' OD1' ' CD1' ' A' ' 99' ' ' TYR . 98.6 m-20 -88.96 171.47 9.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 142' ' ' VAL . 86.3 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.41 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.39 -45.02 89.14 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 110.533 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.99 -33.1 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.51 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.13 -45.79 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.485 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.3 t -60.11 -44.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.239 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.62 -38.46 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.676 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 mmm -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mmt -93.35 -3.87 52.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.552 0.215 . . . . 0.0 110.585 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -101.35 -18.35 16.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.733 0.302 . . . . 0.0 110.366 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.37 146.69 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.49 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.703 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 349' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' B' ' 351' ' ' ILE . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' B' ' 354' ' ' LEU . 0.1 OUTLIER -39.8 -22.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 179.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 351' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 354' ' ' LEU . 0.0 OUTLIER -56.36 -42.46 74.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ILE . . . . . 0.546 ' H ' HD12 ' B' ' 352' ' ' ILE . 3.3 mp -59.85 -44.81 94.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.962 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -64.02 -41.38 97.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.257 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 351' ' ' ILE . 57.5 mt -51.33 -44.08 61.91 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.371 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.615 ' HB1' ' OE1' ' A' ' 114' ' ' GLU . . . -70.19 -38.51 75.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' ARG . . . . . 0.609 ' NH2' ' SD ' ' A' ' 72' ' ' MET . 15.5 mtm180 -62.74 -37.48 86.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.65 -51.84 68.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.715 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.54 -40.7 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.036 0.446 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 359' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.05 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.438 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' LYS . . . . . 0.414 ' HZ2' ' HG2' ' A' ' 7' ' ' GLU . 51.0 tttp -61.78 -37.16 83.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.508 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 361' ' ' GLY . . . . . . . . . . . . . . . -70.41 -36.27 69.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' LYS . . . . . 0.44 ' HZ2' HG23 ' A' ' 117' ' ' THR . 88.3 tttt -62.16 -44.82 95.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.0 110.475 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' LYS . . . . . . . . . . . . . 36.0 tptt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.813 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.2 mt -90.56 114.64 26.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.413 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.4 p -86.57 162.46 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.432 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -56.03 -37.46 69.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.358 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' HG2' ' HZ2' ' B' ' 360' ' ' LYS . 83.2 tt0 -64.39 -43.18 95.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.409 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.05 -43.26 96.06 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.077 0.465 . . . . 0.0 110.487 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.9 mt -62.04 -43.55 97.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.978 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.16 -34.73 76.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.971 179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tp10 -62.12 -44.25 97.06 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.055 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CZ ' ' NH1' ' B' ' 356' ' ' ARG . 27.2 m-85 -62.38 -46.19 89.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.381 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.4 tptm -57.6 -45.94 84.66 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 120.429 -0.508 . . . . 0.0 110.389 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -72.15 -48.3 44.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.912 0.387 . . . . 0.0 110.574 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.95 -48.11 80.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -59.7 -45.69 91.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.482 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.2 p -59.85 -33.21 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.503 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 18' ' ' LEU . 46.0 mt -68.66 -43.06 76.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.989 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.576 ' CE1' ' O ' ' A' ' 112' ' ' LEU . 63.2 m-85 -69.93 -41.87 74.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 23' ' ' GLY . 12.0 t0 -83.13 100.97 10.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.633 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -62.78 -47.75 82.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.009 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 20' ' ' ASP . 7.4 p-10 -72.53 -29.36 63.53 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.725 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . . . 73.57 40.77 45.99 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' OD2' ' A' ' 20' ' ' ASP . 31.1 p30 -83.39 -1.8 54.28 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.719 0.295 . . . . 0.0 110.624 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.44 17.08 74.46 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' O ' ' OD2' ' A' ' 20' ' ' ASP . 60.2 p -141.81 146.96 36.5 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.628 0.251 . . . . 0.0 110.589 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 84.8 mt -105.38 119.54 54.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.232 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 p -91.32 172.35 8.59 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.48 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 96.4 m -71.68 -38.72 70.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.593 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -63.13 -36.76 84.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.578 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -69.95 -60.32 2.37 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.015 0.436 . . . . 0.0 110.549 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.55 -39.84 95.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.399 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.63 -43.69 98.69 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' CA ' HH21 ' A' ' 37' ' ' ARG . 72.7 m -60.59 -47.27 86.96 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.451 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.0 t -66.77 -42.43 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.514 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.763 ' SD ' HD11 ' B' ' 351' ' ' ILE . 7.3 mmt -62.17 -25.82 67.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.858 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 HH21 ' CA ' ' A' ' 34' ' ' THR . 88.5 mtm180 -86.07 -34.62 20.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.334 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.46 ' C ' ' H ' ' A' ' 40' ' ' GLY . 78.4 p -58.71 -16.32 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.708 -179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD11 HD13 ' B' ' 351' ' ' ILE . 8.9 mt -72.87 13.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.394 -179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.46 ' H ' ' C ' ' A' ' 38' ' ' SER . . . 79.2 11.32 85.17 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -106.05 156.25 18.59 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.43 64.57 64.97 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.95 152.94 36.99 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 C-N-CA 122.796 2.331 . . . . 0.0 111.793 179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.7 p -82.82 159.89 22.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.527 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -53.13 -32.06 45.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.166 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.37 -47.28 84.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.39 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.94 -43.4 88.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.588 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 86.8 mt -68.2 -54.25 19.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.551 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -56.68 -43.0 80.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.245 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.85 -44.49 96.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.281 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 14.3 ttt -63.24 -42.82 99.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.244 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 56' ' ' ASP . 97.8 mt -62.96 -44.94 99.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.41 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -58.7 -40.7 84.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.003 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -66.91 -28.69 68.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.596 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 78.9 t -92.42 -24.22 5.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.522 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.544 ' CG ' ' H ' ' A' ' 59' ' ' GLY . 43.8 t0 -85.12 100.56 11.8 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.759 -0.459 . . . . 0.0 109.759 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.46 -23.81 64.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.183 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 56' ' ' ASP . 2.5 p30 -108.94 -16.15 14.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.503 0.192 . . . . 0.0 111.094 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 60.25 47.07 92.91 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.125 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 62' ' ' THR . 52.2 p-10 -86.21 -2.24 58.19 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.667 0.27 . . . . 0.0 110.781 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.63 -12.29 66.21 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.443 ' O ' ' OD1' ' A' ' 60' ' ' ASN . 71.6 p -131.28 155.16 47.63 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 64.0 mt -110.06 124.16 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.038 0.447 . . . . 0.0 110.556 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -92.31 165.2 13.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.745 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.514 ' C ' ' CD1' ' A' ' 65' ' ' PHE . 0.3 OUTLIER -49.13 -54.47 28.62 Favored Pre-proline 0 CA--C 1.542 0.667 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 179.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.96 -43.63 35.04 Favored 'Trans proline' 0 C--N 1.31 -1.458 0 C-N-CA 122.264 1.976 . . . . 0.0 111.828 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -62.36 -40.98 98.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.11 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -39.98 82.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.01 0.433 . . . . 0.0 110.205 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.63 -44.76 93.38 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.301 -0.559 . . . . 0.0 109.818 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.8 m -63.34 -43.92 96.35 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.544 ' C ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -57.75 -39.99 78.67 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.849 179.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.609 ' SD ' ' NH2' ' B' ' 356' ' ' ARG . 45.1 mtt -62.52 -42.87 99.8 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.896 -177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.47 73.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.224 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -70.66 -52.12 23.3 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -67.09 -31.13 71.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 41.9 mtp -79.29 -34.8 42.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.789 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.25 -37.07 22.21 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.772 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ASP . 59.0 m-20 -97.26 10.02 40.64 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.498 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 145' ' ' MET . 0.6 OUTLIER -45.81 -14.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 -179.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 78' ' ' ASP . 55.6 t0 -90.29 19.69 4.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.308 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 78' ' ' ASP . 5.3 t -87.5 129.53 35.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.832 0.349 . . . . 0.0 110.633 179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -60.72 -41.45 95.32 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -63.51 -44.86 93.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.821 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -65.3 -43.06 92.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.96 -43.81 88.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.729 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.425 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' OE2' ' NH2' ' A' ' 90' ' ' ARG . 69.6 mm-40 -65.15 -42.07 94.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.484 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.21 -41.98 80.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.819 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.1 -47.65 85.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.787 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.542 ' NH2' ' OE2' ' A' ' 87' ' ' GLU . 86.9 mtm180 -63.91 -43.21 96.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.789 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 87' ' ' GLU . 53.3 t -63.6 -45.81 96.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.422 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' O ' ' CD ' ' A' ' 104' ' ' GLU . 3.4 m-85 -62.65 -45.92 90.58 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.645 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.55 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 3.6 t70 -86.0 71.95 10.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.223 0.535 . . . . 0.0 110.648 -179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -59.89 -36.48 77.04 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.634 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 25.1 p30 -77.1 -10.0 59.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.773 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.469 ' CA ' ' OD1' ' A' ' 93' ' ' ASP . . . 57.26 33.31 65.01 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 47.1 p30 -87.25 -12.84 45.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.821 0.344 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 82.51 10.13 83.85 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.446 ' CD1' ' OD1' ' A' ' 137' ' ' ASN . 98.3 m-85 -132.28 133.45 44.1 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.4 mt -101.39 120.47 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.2 t -103.2 171.12 7.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.733 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.12 79.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.845 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 107' ' ' HIS . . . -66.01 -43.27 88.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.766 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' CD ' ' O ' ' A' ' 92' ' ' PHE . 37.9 tt0 -67.45 -49.31 64.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.541 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.897 HD21 ' SD ' ' A' ' 109' ' ' MET . 7.7 tt -61.02 -49.95 75.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.499 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.479 ' NH2' ' CG ' ' A' ' 118' ' ' ASP . 39.2 ttm180 -55.57 -39.35 70.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.885 0.374 . . . . 0.0 110.037 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 103' ' ' ALA . 57.1 m170 -64.95 -36.07 83.22 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.689 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.8 t -75.96 -60.8 2.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.62 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.897 ' SD ' HD21 ' A' ' 105' ' ' LEU . 67.5 mtp -55.95 -34.16 65.41 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.463 0.477 . . . . 0.0 110.737 -178.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.642 ' C ' ' H ' ' A' ' 112' ' ' LEU . 37.2 m -73.61 -49.5 25.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.008 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.409 ' CG ' ' O ' ' A' ' 107' ' ' HIS . 89.4 m-20 -49.41 -2.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.362 0.414 . . . . 0.0 110.84 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.642 ' H ' ' C ' ' A' ' 110' ' ' THR . 28.5 mt -85.62 25.38 1.07 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.315 178.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.21 14.04 70.92 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 120.447 -0.882 . . . . 0.0 111.148 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.615 ' OE1' ' HB1' ' B' ' 355' ' ' ALA . 72.9 mt-10 -119.42 151.32 38.72 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -108.84 105.84 15.58 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 24.7 mt -108.78 143.67 37.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.44 HG23 ' HZ2' ' B' ' 362' ' ' LYS . 7.5 p -84.0 161.87 20.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.542 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.479 ' CG ' ' NH2' ' A' ' 106' ' ' ARG . 45.5 t0 -55.58 -25.45 38.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.164 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.21 -49.61 63.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.112 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -52.47 -55.88 18.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.939 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.75 HG23 HD22 ' A' ' 105' ' ' LEU . 2.7 p -57.57 -42.9 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.304 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.428 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 99.5 m-20 -60.56 -37.71 82.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.949 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -63.3 -44.93 93.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.664 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -49.32 76.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.501 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.521 ' O ' ' N ' ' A' ' 129' ' ' ASP . 70.3 mt -70.69 -53.51 21.91 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.227 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' CB ' ' O ' ' A' ' 122' ' ' ASP . 77.1 ttt180 -49.68 -41.78 43.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.237 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 43.4 tp10 -75.78 -28.76 58.54 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.686 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.54 -24.15 27.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.813 0.34 . . . . 0.0 110.984 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 134' ' ' GLY . 30.8 t0 -78.69 100.64 7.14 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.259 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 63.3 mt -66.22 -41.5 89.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.784 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 5.7 p30 -90.55 -8.41 50.32 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.912 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 64.9 32.9 85.75 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 45.2 p30 -78.02 2.23 18.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.713 0.292 . . . . 0.0 110.627 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.94 4.13 90.53 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.522 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.5 mm-40 -141.36 146.42 36.64 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.278 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.13 125.9 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.133 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.446 ' OD1' ' CD1' ' A' ' 99' ' ' TYR . 98.6 m-20 -88.96 171.47 9.85 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.443 ' O ' HG23 ' A' ' 142' ' ' VAL . 86.3 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.41 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -58.39 -45.02 89.14 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 110.533 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.99 -33.1 73.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.51 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -66.13 -45.79 79.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.207 0.527 . . . . 0.0 110.485 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 138' ' ' TYR . 94.3 t -60.11 -44.87 96.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.239 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -63.62 -38.46 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.676 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 12.9 mmm -79.94 -7.41 58.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.933 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 12.5 mmt -93.35 -3.87 52.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.552 0.215 . . . . 0.0 110.585 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 69.4 p -101.35 -18.35 16.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.733 0.302 . . . . 0.0 110.366 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.37 146.69 33.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.49 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 64.0 mttp . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.703 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' ALA . . . . . 0.547 ' O ' ' N ' ' B' ' 351' ' ' ILE . . . . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' PHE . . . . . 0.692 ' CE2' HD11 ' B' ' 354' ' ' LEU . 0.1 OUTLIER -39.8 -22.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.095 0.474 . . . . 0.0 110.732 179.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' ILE . . . . . 0.794 ' HA ' HD12 ' B' ' 354' ' ' LEU . 0.0 OUTLIER -56.36 -42.46 74.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.499 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ILE . . . . . 0.546 ' H ' HD12 ' B' ' 352' ' ' ILE . 3.3 mp -59.85 -44.81 94.99 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.962 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -64.02 -41.38 97.47 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.257 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' B' ' 351' ' ' ILE . 57.5 mt -51.33 -44.08 61.91 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.371 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.615 ' HB1' ' OE1' ' A' ' 114' ' ' GLU . . . -70.19 -38.51 75.35 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.426 -0.509 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' ARG . . . . . 0.609 ' NH2' ' SD ' ' A' ' 72' ' ' MET . 15.5 mtm180 -62.74 -37.48 86.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.737 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.65 -51.84 68.08 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.715 -179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.54 -40.7 69.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.036 0.446 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -63.05 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.438 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' LYS . . . . . 0.414 ' HZ2' ' HG2' ' A' ' 7' ' ' GLU . 51.0 tttp -61.78 -37.16 83.28 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.508 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' GLY . . . . . . . . . . . . . . . -70.41 -36.27 69.38 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' LYS . . . . . 0.44 ' HZ2' HG23 ' A' ' 117' ' ' THR . 88.3 tttt -62.16 -44.82 95.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.912 0.387 . . . . 0.0 110.475 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' LYS . . . . . . . . . . . . . 36.0 tptt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.813 -179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_